3-amino-N-(2-hydroxycyclopentyl)-3-sulfanylidenepropanamide

C8H14N2O2S — CID 127002118

IUPAC3-amino-N-(2-hydroxycyclopentyl)-3-sulfanylidenepropanamide
SMILESNC(=S)CC(=O)NC1CCCC1O
InChIInChI=1S/C8H14N2O2S/c9-7(13)4-8(12)10-5-2-1-3-6(5)11/h5-6,11H,1-4H2,(H2,9,13)(H,10,12)
InChIKeyPSUSUITWKMZQRM-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.31
Rot. Bonds3

About 3-amino-N-(2-hydroxycyclopentyl)-3-sulfanylidenepropanamide

3-amino-N-(2-hydroxycyclopentyl)-3-sulfanylidenepropanamide (PubChem CID 127002118) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxycyclopentyl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxycyclopentyl)-3-sulfanylidenepropanamide
PubChem CID127002118
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name3-amino-N-(2-hydroxycyclopentyl)-3-sulfanylidenepropanamide
SMILESNC(=S)CC(=O)NC1CCCC1O
InChIInChI=1S/C8H14N2O2S/c9-7(13)4-8(12)10-5-2-1-3-6(5)11/h5-6,11H,1-4H2,(H2,9,13)(H,10,12)
InChIKeyPSUSUITWKMZQRM-UHFFFAOYSA-N
XLogP-0.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxycyclopentyl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(2-hydroxycyclopentyl)-3-sulfanylidenepropanamide (CID 127002118) is 3-amino-N-(2-hydroxycyclopentyl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxycyclopentyl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(2-hydroxycyclopentyl)-3-sulfanylidenepropanamide is NC(=S)CC(=O)NC1CCCC1O.
What is the InChIKey of 3-amino-N-(2-hydroxycyclopentyl)-3-sulfanylidenepropanamide?
The InChIKey is PSUSUITWKMZQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c9-7(13)4-8(12)10-5-2-1-3-6(5)11/h5-6,11H,1-4H2,(H2,9,13)(H,10,12).
What are the key properties of 3-amino-N-(2-hydroxycyclopentyl)-3-sulfanylidenepropanamide?
3-amino-N-(2-hydroxycyclopentyl)-3-sulfanylidenepropanamide has a molecular weight of 202.28 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxycyclopentyl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 127002118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).