N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide

C8H15NO2S — CID 106137763

IUPACN-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide
SMILESO=C(CS)NCC1CCC(O)C1
InChIInChI=1S/C8H15NO2S/c10-7-2-1-6(3-7)4-9-8(11)5-12/h6-7,10,12H,1-5H2,(H,9,11)
InChIKeySNDGSAWSQVMRSG-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.19
Rot. Bonds3

About N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide

N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide (PubChem CID 106137763) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide
PubChem CID106137763
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide
SMILESO=C(CS)NCC1CCC(O)C1
InChIInChI=1S/C8H15NO2S/c10-7-2-1-6(3-7)4-9-8(11)5-12/h6-7,10,12H,1-5H2,(H,9,11)
InChIKeySNDGSAWSQVMRSG-UHFFFAOYSA-N
XLogP0.19
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide
CID 106137809
2-cyclopropyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280419
3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106127897
N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 103279887
N-[(3-hydroxycyclopentyl)methyl]-4-oxopentanamide
CID 106135905
N-[(3-hydroxycyclopentyl)methyl]cyclopropanecarboxamide
CID 103280320
5-chloro-N-[(3-hydroxycyclopentyl)methyl]pentanamide
CID 106127901
N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide
CID 106137800
methyl N-[(3-hydroxycyclopentyl)methyl]carbamate
CID 103279767
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide
CID 106137756
2-[acetyl(methyl)amino]-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280418
N-[(3-hydroxycyclopentyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 106134001

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide (CID 106137763) is N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide is O=C(CS)NCC1CCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide?
The InChIKey is SNDGSAWSQVMRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c10-7-2-1-6(3-7)4-9-8(11)5-12/h6-7,10,12H,1-5H2,(H,9,11).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide?
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide has a molecular weight of 189.28 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide is sourced from PubChem (CID 106137763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).