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

C9H17NO2S — CID 106137756

IUPACN-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide
SMILESCC(S)C(=O)NCC1CCC(O)C1
InChIInChI=1S/C9H17NO2S/c1-6(13)9(12)10-5-7-2-3-8(11)4-7/h6-8,11,13H,2-5H2,1H3,(H,10,12)
InChIKeyYBOGWQKAOPIQOB-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.58
Rot. Bonds3

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

N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide (PubChem CID 106137756) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide
PubChem CID106137756
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide
SMILESCC(S)C(=O)NCC1CCC(O)C1
InChIInChI=1S/C9H17NO2S/c1-6(13)9(12)10-5-7-2-3-8(11)4-7/h6-8,11,13H,2-5H2,1H3,(H,10,12)
InChIKeyYBOGWQKAOPIQOB-UHFFFAOYSA-N
XLogP0.58
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

2-amino-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106134063
N-[(3-hydroxycyclopentyl)methyl]-2-methoxypropanamide
CID 103279856
2-ethyl-N-[(3-hydroxycyclopentyl)methyl]butanamide
CID 103279737
2-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]-3-methylbutanamide
CID 103282628
2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 106128023
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide
CID 106137763
methyl N-[(3-hydroxycyclopentyl)methyl]carbamate
CID 103279767
2-ethyl-N-[(3-hydroxycyclopentyl)methyl]hexanamide
CID 103279742
2-amino-N-[(3-hydroxycyclopentyl)methyl]hexanamide
CID 106134012
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide
CID 106121936
N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
CID 106123043
N-[(3-hydroxycyclopentyl)methyl]-4-methoxypentanamide
CID 103280773

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide (CID 106137756) is N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide is CC(S)C(=O)NCC1CCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide?
The InChIKey is YBOGWQKAOPIQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-6(13)9(12)10-5-7-2-3-8(11)4-7/h6-8,11,13H,2-5H2,1H3,(H,10,12).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide?
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide has a molecular weight of 203.31 g/mol, XLogP of 0.58, 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-sulfanylpropanamide is sourced from PubChem (CID 106137756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).