N-(2,3-dimethylcyclopentyl)-3-sulfanylpropanamide

C10H19NOS — CID 107031074

IUPACN-(2,3-dimethylcyclopentyl)-3-sulfanylpropanamide
SMILESCC1CCC(NC(=O)CCS)C1C
InChIInChI=1S/C10H19NOS/c1-7-3-4-9(8(7)2)11-10(12)5-6-13/h7-9,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyLJYSXXBCSRCBTG-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.86
Rot. Bonds3

About N-(2,3-dimethylcyclopentyl)-3-sulfanylpropanamide

N-(2,3-dimethylcyclopentyl)-3-sulfanylpropanamide (PubChem CID 107031074) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-3-sulfanylpropanamide
PubChem CID107031074
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-(2,3-dimethylcyclopentyl)-3-sulfanylpropanamide
SMILESCC1CCC(NC(=O)CCS)C1C
InChIInChI=1S/C10H19NOS/c1-7-3-4-9(8(7)2)11-10(12)5-6-13/h7-9,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyLJYSXXBCSRCBTG-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylcyclopentyl)butanamide
CID 64922483
N-(2,3-dimethylcyclopentyl)-3-(propan-2-ylamino)propanamide
CID 64907400
ethyl 4-[(2,3-dimethylcyclopentyl)amino]-4-oxobutanoate
CID 64907131
N-(2,3-dimethylcyclopentyl)acetamide
CID 64922482
2-[2-[(2,3-dimethylcyclopentyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104570030
5-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-5-oxopentanoic acid
CID 7317755
1-(2,3-dimethylcyclopentyl)-3-ethylurea
CID 116656362
N-(2,3-dimethylcyclohexyl)tridecanamide
CID 57307251
N-(2,3-dimethylcyclohexyl)decanamide;ethane
CID 143436811
N-(2,3-dimethylcyclopentyl)-2-pyrrolidin-2-ylacetamide
CID 64908940
N-(2-methoxycyclopentyl)-3-sulfanylpropanamide
CID 107027892
tert-butyl 4-[(2,3-dimethylcyclohexyl)amino]-4-oxobutanoate
CID 106706973

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-3-sulfanylpropanamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-3-sulfanylpropanamide (CID 107031074) is N-(2,3-dimethylcyclopentyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-3-sulfanylpropanamide is CC1CCC(NC(=O)CCS)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-3-sulfanylpropanamide?
The InChIKey is LJYSXXBCSRCBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-7-3-4-9(8(7)2)11-10(12)5-6-13/h7-9,13H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-(2,3-dimethylcyclopentyl)-3-sulfanylpropanamide?
N-(2,3-dimethylcyclopentyl)-3-sulfanylpropanamide has a molecular weight of 201.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107031074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).