3-(3-aminopropylsulfinylmethyl)pyridine-2-carbonitrile

C10H13N3OS — CID 81187209

IUPAC3-(3-aminopropylsulfinylmethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CS(=O)CCCN
InChIInChI=1S/C10H13N3OS/c11-4-2-6-15(14)8-9-3-1-5-13-10(9)7-12/h1,3,5H,2,4,6,8,11H2
InChIKeyIPNDEXWFDXAONR-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.55
Rot. Bonds5

About 3-(3-aminopropylsulfinylmethyl)pyridine-2-carbonitrile

3-(3-aminopropylsulfinylmethyl)pyridine-2-carbonitrile (PubChem CID 81187209) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-(3-aminopropylsulfinylmethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-aminopropylsulfinylmethyl)pyridine-2-carbonitrile
PubChem CID81187209
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name3-(3-aminopropylsulfinylmethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CS(=O)CCCN
InChIInChI=1S/C10H13N3OS/c11-4-2-6-15(14)8-9-3-1-5-13-10(9)7-12/h1,3,5H,2,4,6,8,11H2
InChIKeyIPNDEXWFDXAONR-UHFFFAOYSA-N
XLogP0.55
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminoethyl)pyridine-2-carbonitrile
CID 83872418
3-[(3-chloro-4-fluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile
CID 115477488
3-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile
CID 64691744
3-(cyclohexylsulfinylmethyl)pyridine-2-carbonitrile
CID 64692156
3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide
CID 121231605
3-(2-oxopropyl)pyridine-2-carbonitrile
CID 69171955
3-[(3-chloro-2-fluorophenyl)methylsulfinyl]propan-1-amine
CID 102864618
(2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid
CID 127019845
3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 115957951
3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile
CID 62895867
5-benzylsulfinylpentan-1-amine
CID 81329024
3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropylsulfinylmethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(3-aminopropylsulfinylmethyl)pyridine-2-carbonitrile (CID 81187209) is 3-(3-aminopropylsulfinylmethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(3-aminopropylsulfinylmethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(3-aminopropylsulfinylmethyl)pyridine-2-carbonitrile is N#Cc1ncccc1CS(=O)CCCN.
What is the InChIKey of 3-(3-aminopropylsulfinylmethyl)pyridine-2-carbonitrile?
The InChIKey is IPNDEXWFDXAONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c11-4-2-6-15(14)8-9-3-1-5-13-10(9)7-12/h1,3,5H,2,4,6,8,11H2.
What are the key properties of 3-(3-aminopropylsulfinylmethyl)pyridine-2-carbonitrile?
3-(3-aminopropylsulfinylmethyl)pyridine-2-carbonitrile has a molecular weight of 223.30 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropylsulfinylmethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 81187209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).