2-amino-4-(cyclopentylmethylsulfanyl)butan-1-ol

C10H21NOS — CID 64805925

IUPAC2-amino-4-(cyclopentylmethylsulfanyl)butan-1-ol
SMILESNC(CO)CCSCC1CCCC1
InChIInChI=1S/C10H21NOS/c11-10(7-12)5-6-13-8-9-3-1-2-4-9/h9-10,12H,1-8,11H2
InChIKeyWKSUGQOCLQYKCN-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.62
Rot. Bonds6

About 2-amino-4-(cyclopentylmethylsulfanyl)butan-1-ol

2-amino-4-(cyclopentylmethylsulfanyl)butan-1-ol (PubChem CID 64805925) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-amino-4-(cyclopentylmethylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-4-(cyclopentylmethylsulfanyl)butan-1-ol
PubChem CID64805925
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-amino-4-(cyclopentylmethylsulfanyl)butan-1-ol
SMILESNC(CO)CCSCC1CCCC1
InChIInChI=1S/C10H21NOS/c11-10(7-12)5-6-13-8-9-3-1-2-4-9/h9-10,12H,1-8,11H2
InChIKeyWKSUGQOCLQYKCN-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyclopentylmethylsulfanyl)butan-1-ol?
The IUPAC name of 2-amino-4-(cyclopentylmethylsulfanyl)butan-1-ol (CID 64805925) is 2-amino-4-(cyclopentylmethylsulfanyl)butan-1-ol.
What is the SMILES notation for 2-amino-4-(cyclopentylmethylsulfanyl)butan-1-ol?
The canonical SMILES for 2-amino-4-(cyclopentylmethylsulfanyl)butan-1-ol is NC(CO)CCSCC1CCCC1.
What is the InChIKey of 2-amino-4-(cyclopentylmethylsulfanyl)butan-1-ol?
The InChIKey is WKSUGQOCLQYKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c11-10(7-12)5-6-13-8-9-3-1-2-4-9/h9-10,12H,1-8,11H2.
What are the key properties of 2-amino-4-(cyclopentylmethylsulfanyl)butan-1-ol?
2-amino-4-(cyclopentylmethylsulfanyl)butan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyclopentylmethylsulfanyl)butan-1-ol is sourced from PubChem (CID 64805925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).