3-[(4-chloro-2-pyridinyl)methylsulfanyl]butan-1-amine

C10H15ClN2S — CID 79255088

IUPAC3-[(4-chloro-2-pyridinyl)methylsulfanyl]butan-1-amine
SMILESCC(CCN)SCc1cc(Cl)ccn1
InChIInChI=1S/C10H15ClN2S/c1-8(2-4-12)14-7-10-6-9(11)3-5-13-10/h3,5-6,8H,2,4,7,12H2,1H3
InChIKeyULIADWUPFHSUBY-UHFFFAOYSA-N
MW230.76 g/mol
LogP2.71
Rot. Bonds5

About 3-[(4-chloro-2-pyridinyl)methylsulfanyl]butan-1-amine

3-[(4-chloro-2-pyridinyl)methylsulfanyl]butan-1-amine (PubChem CID 79255088) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 3-[(4-chloro-2-pyridinyl)methylsulfanyl]butan-1-amine.

Molecular Properties

Compound Name3-[(4-chloro-2-pyridinyl)methylsulfanyl]butan-1-amine
PubChem CID79255088
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name3-[(4-chloro-2-pyridinyl)methylsulfanyl]butan-1-amine
SMILESCC(CCN)SCc1cc(Cl)ccn1
InChIInChI=1S/C10H15ClN2S/c1-8(2-4-12)14-7-10-6-9(11)3-5-13-10/h3,5-6,8H,2,4,7,12H2,1H3
InChIKeyULIADWUPFHSUBY-UHFFFAOYSA-N
XLogP2.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-chloro-2-pyridinyl)methylsulfanyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-chloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-1-amine
CID 79254897
2-[(4-chloro-2-pyridinyl)methylsulfanyl]propanoic acid
CID 79255226
3-[(6-chloro-2-pyridinyl)methylsulfanyl]butan-1-amine
CID 79240653
(4-chloro-2-pyridinyl)methanamine
CID 22727148
4-chloro-2-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridine
CID 79244696
2-(tert-butylsulfanylmethyl)-4-chloropyridine
CID 79244586
methyl 2-amino-4-[(4-chloro-2-pyridinyl)methylsulfanyl]butanoate
CID 79255349
4-chloro-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine
CID 107779318
4-chloro-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyridine
CID 79244809
methyl 2-amino-3-[(4-chloro-2-pyridinyl)methylsulfanyl]propanoate
CID 79255709
4-chloro-2-[(3,4-difluorophenyl)sulfanylmethyl]pyridine
CID 79245162
3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)butan-1-amine
CID 66228154

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-pyridinyl)methylsulfanyl]butan-1-amine?
The IUPAC name of 3-[(4-chloro-2-pyridinyl)methylsulfanyl]butan-1-amine (CID 79255088) is 3-[(4-chloro-2-pyridinyl)methylsulfanyl]butan-1-amine.
What is the SMILES notation for 3-[(4-chloro-2-pyridinyl)methylsulfanyl]butan-1-amine?
The canonical SMILES for 3-[(4-chloro-2-pyridinyl)methylsulfanyl]butan-1-amine is CC(CCN)SCc1cc(Cl)ccn1.
What is the InChIKey of 3-[(4-chloro-2-pyridinyl)methylsulfanyl]butan-1-amine?
The InChIKey is ULIADWUPFHSUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-8(2-4-12)14-7-10-6-9(11)3-5-13-10/h3,5-6,8H,2,4,7,12H2,1H3.
What are the key properties of 3-[(4-chloro-2-pyridinyl)methylsulfanyl]butan-1-amine?
3-[(4-chloro-2-pyridinyl)methylsulfanyl]butan-1-amine has a molecular weight of 230.76 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-pyridinyl)methylsulfanyl]butan-1-amine is sourced from PubChem (CID 79255088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).