(4S)-4-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)-2-methylpentane-2-sulfinamide

C14H18ClN3O2S — CID 140707618

IUPAC(4S)-4-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)-2-methylpentane-2-sulfinamide
SMILESC[C@@H](CC(C)(C)S(N)=O)c1cc2cc(Cl)cnc2[nH]c1=O
InChIInChI=1S/C14H18ClN3O2S/c1-8(6-14(2,3)21(16)20)11-5-9-4-10(15)7-17-12(9)18-13(11)19/h4-5,7-8H,6,16H2,1-3H3,(H,17,18,19)/t8-,21?/m0/s1
InChIKeyRSWBBJBWZPIDGT-CBPHCGDMSA-N
MW327.84 g/mol
LogP2.47
Rot. Bonds4

About (4S)-4-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)-2-methylpentane-2-sulfinamide

(4S)-4-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)-2-methylpentane-2-sulfinamide (PubChem CID 140707618) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is (4S)-4-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)-2-methylpentane-2-sulfinamide.

Molecular Properties

Compound Name(4S)-4-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)-2-methylpentane-2-sulfinamide
PubChem CID140707618
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name(4S)-4-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)-2-methylpentane-2-sulfinamide
SMILESC[C@@H](CC(C)(C)S(N)=O)c1cc2cc(Cl)cnc2[nH]c1=O
InChIInChI=1S/C14H18ClN3O2S/c1-8(6-14(2,3)21(16)20)11-5-9-4-10(15)7-17-12(9)18-13(11)19/h4-5,7-8H,6,16H2,1-3H3,(H,17,18,19)/t8-,21?/m0/s1
InChIKeyRSWBBJBWZPIDGT-CBPHCGDMSA-N
XLogP2.47
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(2,6-dichloroquinolin-3-yl)-2-methylpentane-2-sulfinamide
CID 140707629
[2-[[(1S)-1-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)ethyl]amino]-4-pyridinyl]-methylcarbamic acid
CID 135378396
N-[3-[[(1S)-1-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)ethyl]amino]phenyl]-N-(2-methylpropyl)methanesulfonamide
CID 118955659
6-chloro-3-[1-[[4-(4-methylthiophen-3-yl)-2-pyridinyl]amino]ethyl]-1H-1,8-naphthyridin-2-one
CID 134364005
6-chloro-3-[(1S)-1-[[4-(4-methylthiophen-3-yl)-2-pyridinyl]amino]ethyl]-1H-1,8-naphthyridin-2-one
CID 118956109
2-methyl-6-pentan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
CID 176552982
(4S)-4-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-2-methylhexane-2-sulfinamide
CID 166506481
2-chloro-5H-benzo[c][1,8]naphthyridin-6-one
CID 58167982
3-butan-2-yl-7-(ethylamino)-1H-quinolin-2-one
CID 170712437
2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one
CID 71111092
tert-butyl (2R)-4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoate
CID 160942284
2-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 122543721

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)-2-methylpentane-2-sulfinamide?
The IUPAC name of (4S)-4-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)-2-methylpentane-2-sulfinamide (CID 140707618) is (4S)-4-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)-2-methylpentane-2-sulfinamide.
What is the SMILES notation for (4S)-4-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)-2-methylpentane-2-sulfinamide?
The canonical SMILES for (4S)-4-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)-2-methylpentane-2-sulfinamide is C[C@@H](CC(C)(C)S(N)=O)c1cc2cc(Cl)cnc2[nH]c1=O.
What is the InChIKey of (4S)-4-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)-2-methylpentane-2-sulfinamide?
The InChIKey is RSWBBJBWZPIDGT-CBPHCGDMSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-8(6-14(2,3)21(16)20)11-5-9-4-10(15)7-17-12(9)18-13(11)19/h4-5,7-8H,6,16H2,1-3H3,(H,17,18,19)/t8-,21?/m0/s1.
What are the key properties of (4S)-4-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)-2-methylpentane-2-sulfinamide?
(4S)-4-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)-2-methylpentane-2-sulfinamide has a molecular weight of 327.84 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)-2-methylpentane-2-sulfinamide is sourced from PubChem (CID 140707618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).