(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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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).