6-(3-aminosulfanylbutan-2-yl)pyridine-3-carbonitrile;methanol

C11H17N3OS — CID 145397018

IUPAC6-(3-aminosulfanylbutan-2-yl)pyridine-3-carbonitrile;methanol
SMILESCC(SN)C(C)c1ccc(C#N)cn1.CO
InChIInChI=1S/C10H13N3S.CH4O/c1-7(8(2)14-12)10-4-3-9(5-11)6-13-10;1-2/h3-4,6-8H,12H2,1-2H3;2H,1H3
InChIKeyHITWKRLJAKYCPC-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.66
Rot. Bonds3

About 6-(3-aminosulfanylbutan-2-yl)pyridine-3-carbonitrile;methanol

6-(3-aminosulfanylbutan-2-yl)pyridine-3-carbonitrile;methanol (PubChem CID 145397018) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 6-(3-aminosulfanylbutan-2-yl)pyridine-3-carbonitrile;methanol.

Molecular Properties

Compound Name6-(3-aminosulfanylbutan-2-yl)pyridine-3-carbonitrile;methanol
PubChem CID145397018
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name6-(3-aminosulfanylbutan-2-yl)pyridine-3-carbonitrile;methanol
SMILESCC(SN)C(C)c1ccc(C#N)cn1.CO
InChIInChI=1S/C10H13N3S.CH4O/c1-7(8(2)14-12)10-4-3-9(5-11)6-13-10;1-2/h3-4,6-8H,12H2,1-2H3;2H,1H3
InChIKeyHITWKRLJAKYCPC-UHFFFAOYSA-N
XLogP1.66
TPSA82.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile
CID 55294065
6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171900634
6-(3-bromo-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171859650
4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide
CID 171898842
ethane;2-methyl-5-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile
CID 163393401
6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile
CID 64541282
6-[1-(4-fluorocyclohexa-1,3-dien-1-yl)oxyethyl]pyridine-3-carbonitrile
CID 169235811
N-methyl-N'-(3-methylbut-1-en-2-yl)ethane-1,2-diimine;6-propan-2-ylpyridine-3-carbonitrile
CID 171630553
2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789
6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612
6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
CID 155676495
6-(1-chloroethoxy)pyridine-3-carbonitrile
CID 143861415

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminosulfanylbutan-2-yl)pyridine-3-carbonitrile;methanol?
The IUPAC name of 6-(3-aminosulfanylbutan-2-yl)pyridine-3-carbonitrile;methanol (CID 145397018) is 6-(3-aminosulfanylbutan-2-yl)pyridine-3-carbonitrile;methanol.
What is the SMILES notation for 6-(3-aminosulfanylbutan-2-yl)pyridine-3-carbonitrile;methanol?
The canonical SMILES for 6-(3-aminosulfanylbutan-2-yl)pyridine-3-carbonitrile;methanol is CC(SN)C(C)c1ccc(C#N)cn1.CO.
What is the InChIKey of 6-(3-aminosulfanylbutan-2-yl)pyridine-3-carbonitrile;methanol?
The InChIKey is HITWKRLJAKYCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S.CH4O/c1-7(8(2)14-12)10-4-3-9(5-11)6-13-10;1-2/h3-4,6-8H,12H2,1-2H3;2H,1H3.
What are the key properties of 6-(3-aminosulfanylbutan-2-yl)pyridine-3-carbonitrile;methanol?
6-(3-aminosulfanylbutan-2-yl)pyridine-3-carbonitrile;methanol has a molecular weight of 239.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminosulfanylbutan-2-yl)pyridine-3-carbonitrile;methanol is sourced from PubChem (CID 145397018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).