2-[5-[2-methyl-4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetic acid;sulfane

C19H24N2O3S — CID 158073467

IUPAC2-[5-[2-methyl-4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetic acid;sulfane
SMILESCc1cc(N2CCOC[C@@H]2C)ccc1-c1ccc(CC(=O)O)nc1.S
InChIInChI=1S/C19H22N2O3.H2S/c1-13-9-17(21-7-8-24-12-14(21)2)5-6-18(13)15-3-4-16(20-11-15)10-19(22)23;/h3-6,9,11,14H,7-8,10,12H2,1-2H3,(H,22,23);1H2/t14-;/m0./s1
InChIKeyFMBZKHULXYUZOQ-UQKRIMTDSA-N
MW360.48 g/mol
LogP3.02
Rot. Bonds4

About 2-[5-[2-methyl-4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetic acid;sulfane

2-[5-[2-methyl-4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetic acid;sulfane (PubChem CID 158073467) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[5-[2-methyl-4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetic acid;sulfane.

Molecular Properties

Compound Name2-[5-[2-methyl-4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetic acid;sulfane
PubChem CID158073467
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-[5-[2-methyl-4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetic acid;sulfane
SMILESCc1cc(N2CCOC[C@@H]2C)ccc1-c1ccc(CC(=O)O)nc1.S
InChIInChI=1S/C19H22N2O3.H2S/c1-13-9-17(21-7-8-24-12-14(21)2)5-6-18(13)15-3-4-16(20-11-15)10-19(22)23;/h3-6,9,11,14H,7-8,10,12H2,1-2H3,(H,22,23);1H2/t14-;/m0./s1
InChIKeyFMBZKHULXYUZOQ-UQKRIMTDSA-N
XLogP3.02
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[5-[2-methyl-4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide
CID 134252878
(3R)-4-[4-(6-fluoro-3-pyridinyl)-3-methylphenyl]-3-methylmorpholine
CID 134252909
(E)-3-[4-(3-methylmorpholin-4-yl)phenyl]prop-2-enoic acid
CID 43542460
2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid
CID 117009339
2-(2,6-difluorophenyl)-4-[[5-[(3S)-3-methylmorpholin-4-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 159802557
4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide
CID 83096488
7-[(3R)-3-methylmorpholin-4-yl]-3H-quinazolin-4-one
CID 175074692
[4-(3-methylmorpholin-4-yl)phenyl]methanol
CID 43542363
[3-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 102813467
N-[4-(3-methylmorpholin-4-yl)phenyl]acetamide
CID 110637361
2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide
CID 90005107
3-amino-3-[6-methyl-5-(3-methylmorpholin-4-yl)-3-pyridinyl]propanoic acid
CID 139579840

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-methyl-4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetic acid;sulfane?
The IUPAC name of 2-[5-[2-methyl-4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetic acid;sulfane (CID 158073467) is 2-[5-[2-methyl-4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetic acid;sulfane.
What is the SMILES notation for 2-[5-[2-methyl-4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetic acid;sulfane?
The canonical SMILES for 2-[5-[2-methyl-4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetic acid;sulfane is Cc1cc(N2CCOC[C@@H]2C)ccc1-c1ccc(CC(=O)O)nc1.S.
What is the InChIKey of 2-[5-[2-methyl-4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetic acid;sulfane?
The InChIKey is FMBZKHULXYUZOQ-UQKRIMTDSA-N. The full InChI is InChI=1S/C19H22N2O3.H2S/c1-13-9-17(21-7-8-24-12-14(21)2)5-6-18(13)15-3-4-16(20-11-15)10-19(22)23;/h3-6,9,11,14H,7-8,10,12H2,1-2H3,(H,22,23);1H2/t14-;/m0./s1.
What are the key properties of 2-[5-[2-methyl-4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetic acid;sulfane?
2-[5-[2-methyl-4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetic acid;sulfane has a molecular weight of 360.48 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-methyl-4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetic acid;sulfane is sourced from PubChem (CID 158073467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).