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

C21H34N4OS — CID 174070807

IUPAC6-[(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
SMILESC/C=C\N(/C(C)=C(\C)CC)c1cc(N2CCOCC2C)cc(N=S(C)C)n1
InChIInChI=1S/C21H34N4OS/c1-8-10-25(18(5)16(3)9-2)21-14-19(13-20(22-21)23-27(6)7)24-11-12-26-15-17(24)4/h8,10,13-14,17H,9,11-12,15H2,1-7H3/b10-8-,18-16+
InChIKeyKIIFJMGBZOMKJE-SKMLPLDFSA-N
MW390.60 g/mol
LogP5.04
Rot. Bonds6

About 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

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 (PubChem CID 174070807) has the molecular formula C21H34N4OS and a molecular weight of 390.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID174070807
Molecular FormulaC21H34N4OS
Molecular Weight390.60 g/mol
Exact Mass390.25
IUPAC Name6-[(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
SMILESC/C=C\N(/C(C)=C(\C)CC)c1cc(N2CCOCC2C)cc(N=S(C)C)n1
InChIInChI=1S/C21H34N4OS/c1-8-10-25(18(5)16(3)9-2)21-14-19(13-20(22-21)23-27(6)7)24-11-12-26-15-17(24)4/h8,10,13-14,17H,9,11-12,15H2,1-7H3/b10-8-,18-16+
InChIKeyKIIFJMGBZOMKJE-SKMLPLDFSA-N
XLogP5.04
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.60
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

[6-(2-ethyl-2H-pyrrol-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane
CID 153344412
N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
CID 146533977
[4-(3-methylmorpholin-4-yl)phenyl]methanol
CID 43542363
6-chloro-4-[4-(1-cyclopropylethylideneamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine
CID 137422704
2-chloro-4-(3-methylmorpholin-4-yl)benzenecarbothioamide
CID 62949124
3-methyl-4-[3-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2H-pyrazolo[3,4-b]pyridin-6-yl]morpholine
CID 178015899
N-[[4-(3-methylmorpholin-4-yl)quinolin-2-yl]methyl]ethanamine
CID 63374484
2-fluoro-4-(3-methylmorpholin-4-yl)benzenecarbothioamide
CID 115367942
(3S)-3-ethyl-4-[4-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 175844619
N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]pyrrolidine-2-carboxamide
CID 130344698
(3R)-4-(4-bromophenyl)-3-methylmorpholine
CID 134252905
5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80780913

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C\N(/C(C)=C(\C)CC)c1cc(N2CCOCC2C)cc(N=S(C)C)n1.
What is the InChIKey of 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?
The InChIKey is KIIFJMGBZOMKJE-SKMLPLDFSA-N. The full InChI is InChI=1S/C21H34N4OS/c1-8-10-25(18(5)16(3)9-2)21-14-19(13-20(22-21)23-27(6)7)24-11-12-26-15-17(24)4/h8,10,13-14,17H,9,11-12,15H2,1-7H3/b10-8-,18-16+.
What are the key properties of 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?
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 has a molecular weight of 390.60 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174070807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).