N-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide

C11H21NOS — CID 107031086

IUPACN-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide
SMILESCCC1CCC(NC(=O)C(C)S)C1C
InChIInChI=1S/C11H21NOS/c1-4-9-5-6-10(7(9)2)12-11(13)8(3)14/h7-10,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyDFMVTEYJGIQOQT-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.25
Rot. Bonds3

About N-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide

N-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide (PubChem CID 107031086) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide
PubChem CID107031086
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide
SMILESCCC1CCC(NC(=O)C(C)S)C1C
InChIInChI=1S/C11H21NOS/c1-4-9-5-6-10(7(9)2)12-11(13)8(3)14/h7-10,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyDFMVTEYJGIQOQT-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.25
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-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide
CID 103515760
2-amino-N-(3-ethyl-2-methylcyclopentyl)-3,3-dimethylbutanamide
CID 77050507
propan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate
CID 116656380
3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea
CID 116656385
N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide
CID 64914468
N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinyl-2-oxoacetamide
CID 64917052
N-cyclohexyl-2-[(3-ethyl-2-methylcyclopentyl)amino]propanamide
CID 64920811
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid
CID 64914032
2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide
CID 106591532
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid
CID 64916428
3-[ethyl-[(3-ethyl-2-methylcyclopentyl)carbamoyl]amino]butanoic acid
CID 64916232
N-(3-ethyl-2-methylcyclopentyl)-2,2,3,3,3-pentafluoropropanamide
CID 114038212

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide (CID 107031086) is N-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide is CCC1CCC(NC(=O)C(C)S)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide?
The InChIKey is DFMVTEYJGIQOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-4-9-5-6-10(7(9)2)12-11(13)8(3)14/h7-10,14H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide?
N-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide has a molecular weight of 215.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide is sourced from PubChem (CID 107031086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).