N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide

C9H17NO2S — CID 106367884

IUPACN-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide
SMILESO=C(CCS)NC1CCCC1CO
InChIInChI=1S/C9H17NO2S/c11-6-7-2-1-3-8(7)10-9(12)4-5-13/h7-8,11,13H,1-6H2,(H,10,12)
InChIKeyNVGCSPZXECFGQX-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.58
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide

N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide (PubChem CID 106367884) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide
PubChem CID106367884
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide
SMILESO=C(CCS)NC1CCCC1CO
InChIInChI=1S/C9H17NO2S/c11-6-7-2-1-3-8(7)10-9(12)4-5-13/h7-8,11,13H,1-6H2,(H,10,12)
InChIKeyNVGCSPZXECFGQX-UHFFFAOYSA-N
XLogP0.58
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide (CID 106367884) is N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide is O=C(CCS)NC1CCCC1CO.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide?
The InChIKey is NVGCSPZXECFGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c11-6-7-2-1-3-8(7)10-9(12)4-5-13/h7-8,11,13H,1-6H2,(H,10,12).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide?
N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide has a molecular weight of 203.31 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide is sourced from PubChem (CID 106367884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).