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

C10H15ClN2OS — CID 64813224

IUPAC1-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol
SMILESCC(O)(CN)CCSc1ncccc1Cl
InChIInChI=1S/C10H15ClN2OS/c1-10(14,7-12)4-6-15-9-8(11)3-2-5-13-9/h2-3,5,14H,4,6-7,12H2,1H3
InChIKeyGSVPZPFYUCHRAG-UHFFFAOYSA-N
MW246.76 g/mol
LogP1.93
Rot. Bonds5

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

1-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol (PubChem CID 64813224) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 1-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol
PubChem CID64813224
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name1-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol
SMILESCC(O)(CN)CCSc1ncccc1Cl
InChIInChI=1S/C10H15ClN2OS/c1-10(14,7-12)4-6-15-9-8(11)3-2-5-13-9/h2-3,5,14H,4,6-7,12H2,1H3
InChIKeyGSVPZPFYUCHRAG-UHFFFAOYSA-N
XLogP1.93
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol?
The IUPAC name of 1-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol (CID 64813224) is 1-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol.
What is the SMILES notation for 1-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol?
The canonical SMILES for 1-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol is CC(O)(CN)CCSc1ncccc1Cl.
What is the InChIKey of 1-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol?
The InChIKey is GSVPZPFYUCHRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-10(14,7-12)4-6-15-9-8(11)3-2-5-13-9/h2-3,5,14H,4,6-7,12H2,1H3.
What are the key properties of 1-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol?
1-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol has a molecular weight of 246.76 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol is sourced from PubChem (CID 64813224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).