(S)-N-[3-(azetidin-1-yl)-1-(5-methyl-2-pyridinyl)propyl]butane-1-sulfinamide

C16H27N3OS — CID 163982669

IUPAC(S)-N-[3-(azetidin-1-yl)-1-(5-methyl-2-pyridinyl)propyl]butane-1-sulfinamide
SMILESCCCC[S@](=O)NC(CCN1CCC1)c1ccc(C)cn1
InChIInChI=1S/C16H27N3OS/c1-3-4-12-21(20)18-16(8-11-19-9-5-10-19)15-7-6-14(2)13-17-15/h6-7,13,16,18H,3-5,8-12H2,1-2H3/t16?,21-/m0/s1
InChIKeySZTQHQNIBPZSRD-MRNPHLECSA-N
MW309.48 g/mol
LogP2.58
Rot. Bonds9

About (S)-N-[3-(azetidin-1-yl)-1-(5-methyl-2-pyridinyl)propyl]butane-1-sulfinamide

(S)-N-[3-(azetidin-1-yl)-1-(5-methyl-2-pyridinyl)propyl]butane-1-sulfinamide (PubChem CID 163982669) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is (S)-N-[3-(azetidin-1-yl)-1-(5-methyl-2-pyridinyl)propyl]butane-1-sulfinamide.

Molecular Properties

Compound Name(S)-N-[3-(azetidin-1-yl)-1-(5-methyl-2-pyridinyl)propyl]butane-1-sulfinamide
PubChem CID163982669
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name(S)-N-[3-(azetidin-1-yl)-1-(5-methyl-2-pyridinyl)propyl]butane-1-sulfinamide
SMILESCCCC[S@](=O)NC(CCN1CCC1)c1ccc(C)cn1
InChIInChI=1S/C16H27N3OS/c1-3-4-12-21(20)18-16(8-11-19-9-5-10-19)15-7-6-14(2)13-17-15/h6-7,13,16,18H,3-5,8-12H2,1-2H3/t16?,21-/m0/s1
InChIKeySZTQHQNIBPZSRD-MRNPHLECSA-N
XLogP2.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-N-[3-(azetidin-1-yl)-1-(5-methyl-2-pyridinyl)propyl]butane-1-sulfinamide?
The IUPAC name of (S)-N-[3-(azetidin-1-yl)-1-(5-methyl-2-pyridinyl)propyl]butane-1-sulfinamide (CID 163982669) is (S)-N-[3-(azetidin-1-yl)-1-(5-methyl-2-pyridinyl)propyl]butane-1-sulfinamide.
What is the SMILES notation for (S)-N-[3-(azetidin-1-yl)-1-(5-methyl-2-pyridinyl)propyl]butane-1-sulfinamide?
The canonical SMILES for (S)-N-[3-(azetidin-1-yl)-1-(5-methyl-2-pyridinyl)propyl]butane-1-sulfinamide is CCCC[S@](=O)NC(CCN1CCC1)c1ccc(C)cn1.
What is the InChIKey of (S)-N-[3-(azetidin-1-yl)-1-(5-methyl-2-pyridinyl)propyl]butane-1-sulfinamide?
The InChIKey is SZTQHQNIBPZSRD-MRNPHLECSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-3-4-12-21(20)18-16(8-11-19-9-5-10-19)15-7-6-14(2)13-17-15/h6-7,13,16,18H,3-5,8-12H2,1-2H3/t16?,21-/m0/s1.
What are the key properties of (S)-N-[3-(azetidin-1-yl)-1-(5-methyl-2-pyridinyl)propyl]butane-1-sulfinamide?
(S)-N-[3-(azetidin-1-yl)-1-(5-methyl-2-pyridinyl)propyl]butane-1-sulfinamide has a molecular weight of 309.48 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[3-(azetidin-1-yl)-1-(5-methyl-2-pyridinyl)propyl]butane-1-sulfinamide is sourced from PubChem (CID 163982669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).