[6-(2-ethyl-2H-pyrrol-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane

C18H26N4O2S — CID 153344412

IUPAC[6-(2-ethyl-2H-pyrrol-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane
SMILESCCC1C=C(c2cc(N3CCOC[C@H]3C)cc(N=S(C)(C)=O)n2)C=N1
InChIInChI=1S/C18H26N4O2S/c1-5-15-8-14(11-19-15)17-9-16(22-6-7-24-12-13(22)2)10-18(20-17)21-25(3,4)23/h8-11,13,15H,5-7,12H2,1-4H3/t13-,15?/m1/s1
InChIKeyQNONIKBBWVEHRZ-AFYYWNPRSA-N
MW362.50 g/mol
LogP2.91
Rot. Bonds4

About [6-(2-ethyl-2H-pyrrol-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane

[6-(2-ethyl-2H-pyrrol-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane (PubChem CID 153344412) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is [6-(2-ethyl-2H-pyrrol-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name[6-(2-ethyl-2H-pyrrol-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane
PubChem CID153344412
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name[6-(2-ethyl-2H-pyrrol-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane
SMILESCCC1C=C(c2cc(N3CCOC[C@H]3C)cc(N=S(C)(C)=O)n2)C=N1
InChIInChI=1S/C18H26N4O2S/c1-5-15-8-14(11-19-15)17-9-16(22-6-7-24-12-13(22)2)10-18(20-17)21-25(3,4)23/h8-11,13,15H,5-7,12H2,1-4H3/t13-,15?/m1/s1
InChIKeyQNONIKBBWVEHRZ-AFYYWNPRSA-N
XLogP2.91
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl-[[4-(3-methylmorpholin-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane
CID 139486658
6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine
CID 137417699
dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-propylimidazol-1-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;ethane
CID 142518092
dimethyl-[2-(2-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane
CID 142518006
[2-(benzimidazol-1-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 137405562
6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide
CID 137405570
dimethyl-[6-(3-methylmorpholin-4-yl)-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane
CID 174205306
dimethyl-[[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]imino]-oxo-λ6-sulfane
CID 176598541
[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 137417929
6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxylic acid;methane
CID 160569292
4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 137417888
6-[(dimethyl-λ4-sulfanylidene)amino]-4-(3-methylmorpholin-4-yl)-N-[(E)-3-methylpent-2-en-2-yl]-N-[(Z)-prop-1-enyl]pyridin-2-amine
CID 174070807

Frequently Asked Questions

What is the IUPAC name of [6-(2-ethyl-2H-pyrrol-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane?
The IUPAC name of [6-(2-ethyl-2H-pyrrol-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane (CID 153344412) is [6-(2-ethyl-2H-pyrrol-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane.
What is the SMILES notation for [6-(2-ethyl-2H-pyrrol-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane?
The canonical SMILES for [6-(2-ethyl-2H-pyrrol-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane is CCC1C=C(c2cc(N3CCOC[C@H]3C)cc(N=S(C)(C)=O)n2)C=N1.
What is the InChIKey of [6-(2-ethyl-2H-pyrrol-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane?
The InChIKey is QNONIKBBWVEHRZ-AFYYWNPRSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-5-15-8-14(11-19-15)17-9-16(22-6-7-24-12-13(22)2)10-18(20-17)21-25(3,4)23/h8-11,13,15H,5-7,12H2,1-4H3/t13-,15?/m1/s1.
What are the key properties of [6-(2-ethyl-2H-pyrrol-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane?
[6-(2-ethyl-2H-pyrrol-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane has a molecular weight of 362.50 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-ethyl-2H-pyrrol-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane is sourced from PubChem (CID 153344412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).