2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol

C9H13ClN2OS — CID 64821551

IUPAC2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol
SMILESNC(CO)CCSc1ncccc1Cl
InChIInChI=1S/C9H13ClN2OS/c10-8-2-1-4-12-9(8)14-5-3-7(11)6-13/h1-2,4,7,13H,3,5-6,11H2
InChIKeyVJUKMQKSIQUJND-UHFFFAOYSA-N
MW232.74 g/mol
LogP1.54
Rot. Bonds5

About 2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol

2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol (PubChem CID 64821551) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol.

Molecular Properties

Compound Name2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol
PubChem CID64821551
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol
SMILESNC(CO)CCSc1ncccc1Cl
InChIInChI=1S/C9H13ClN2OS/c10-8-2-1-4-12-9(8)14-5-3-7(11)6-13/h1-2,4,7,13H,3,5-6,11H2
InChIKeyVJUKMQKSIQUJND-UHFFFAOYSA-N
XLogP1.54
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[(3-bromo-2-pyridinyl)sulfanyl]butan-1-ol
CID 64821539
3-chloro-2-(2-chloroethylsulfanyl)pyridine
CID 43446290
4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine
CID 64631084
1-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol
CID 64813224
(2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride
CID 70048695
3-[(3-chloro-2-pyridinyl)sulfanyl]-2-phenylpropan-1-amine
CID 64537037
(2S)-2-amino-4-phenylsulfanylbutan-1-ol
CID 57263408
1-[(3-chloro-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol
CID 65212251
2-amino-4-[(5-bromo-2-pyridinyl)sulfanyl]butan-1-ol
CID 64821543
2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol
CID 64818640
4-[(3-chloro-2-pyridinyl)sulfanyl]aniline
CID 61370219
3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
CID 47152859

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol?
The IUPAC name of 2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol (CID 64821551) is 2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol.
What is the SMILES notation for 2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol?
The canonical SMILES for 2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol is NC(CO)CCSc1ncccc1Cl.
What is the InChIKey of 2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol?
The InChIKey is VJUKMQKSIQUJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c10-8-2-1-4-12-9(8)14-5-3-7(11)6-13/h1-2,4,7,13H,3,5-6,11H2.
What are the key properties of 2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol?
2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol has a molecular weight of 232.74 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol is sourced from PubChem (CID 64821551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).