3-amino-4-(cyclopentylmethylsulfonyl)butan-1-ol

C10H21NO3S — CID 64899521

IUPAC3-amino-4-(cyclopentylmethylsulfonyl)butan-1-ol
SMILESNC(CCO)CS(=O)(=O)CC1CCCC1
InChIInChI=1S/C10H21NO3S/c11-10(5-6-12)8-15(13,14)7-9-3-1-2-4-9/h9-10,12H,1-8,11H2
InChIKeyGGLXEAQRQXJWEA-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.30
Rot. Bonds6

About 3-amino-4-(cyclopentylmethylsulfonyl)butan-1-ol

3-amino-4-(cyclopentylmethylsulfonyl)butan-1-ol (PubChem CID 64899521) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-amino-4-(cyclopentylmethylsulfonyl)butan-1-ol.

Molecular Properties

Compound Name3-amino-4-(cyclopentylmethylsulfonyl)butan-1-ol
PubChem CID64899521
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name3-amino-4-(cyclopentylmethylsulfonyl)butan-1-ol
SMILESNC(CCO)CS(=O)(=O)CC1CCCC1
InChIInChI=1S/C10H21NO3S/c11-10(5-6-12)8-15(13,14)7-9-3-1-2-4-9/h9-10,12H,1-8,11H2
InChIKeyGGLXEAQRQXJWEA-UHFFFAOYSA-N
XLogP0.30
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(cyclopentylmethylsulfonyl)butan-1-ol?
The IUPAC name of 3-amino-4-(cyclopentylmethylsulfonyl)butan-1-ol (CID 64899521) is 3-amino-4-(cyclopentylmethylsulfonyl)butan-1-ol.
What is the SMILES notation for 3-amino-4-(cyclopentylmethylsulfonyl)butan-1-ol?
The canonical SMILES for 3-amino-4-(cyclopentylmethylsulfonyl)butan-1-ol is NC(CCO)CS(=O)(=O)CC1CCCC1.
What is the InChIKey of 3-amino-4-(cyclopentylmethylsulfonyl)butan-1-ol?
The InChIKey is GGLXEAQRQXJWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c11-10(5-6-12)8-15(13,14)7-9-3-1-2-4-9/h9-10,12H,1-8,11H2.
What are the key properties of 3-amino-4-(cyclopentylmethylsulfonyl)butan-1-ol?
3-amino-4-(cyclopentylmethylsulfonyl)butan-1-ol has a molecular weight of 235.35 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(cyclopentylmethylsulfonyl)butan-1-ol is sourced from PubChem (CID 64899521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).