N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide

C13H24N2OS — CID 61121156

IUPACN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide
SMILESCCC(C)(NC(=O)CCC1CCCC1)C(N)=S
InChIInChI=1S/C13H24N2OS/c1-3-13(2,12(14)17)15-11(16)9-8-10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyIWKRQMCTGSILBF-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.53
Rot. Bonds6

About N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide

N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide (PubChem CID 61121156) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide
PubChem CID61121156
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide
SMILESCCC(C)(NC(=O)CCC1CCCC1)C(N)=S
InChIInChI=1S/C13H24N2OS/c1-3-13(2,12(14)17)15-11(16)9-8-10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyIWKRQMCTGSILBF-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide
CID 61119214
N-(1-amino-2-methylpropan-2-yl)-3-cyclopentylpropanamide;hydrochloride
CID 119260499
3-cyclopentyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide
CID 103895541
N-(1-amino-2-methylpropan-2-yl)-3-cyclohexylpropanamide;hydrochloride
CID 119524224
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 62718713
3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 60520430
(3-cyclohexylpropanoylamino)thiourea
CID 65214782
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylpropanamide
CID 81487027
N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide
CID 114457879
1-tert-butyl-3-(3-cyclopentylpropanoylamino)thiourea
CID 9425467
3-cyclopentyl-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82723159
N-(2-amino-2-methylpropyl)-3-cyclopentylpropanamide
CID 81425234

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide (CID 61121156) is N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide is CCC(C)(NC(=O)CCC1CCCC1)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide?
The InChIKey is IWKRQMCTGSILBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-3-13(2,12(14)17)15-11(16)9-8-10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H2,14,17)(H,15,16).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide?
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide has a molecular weight of 256.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide is sourced from PubChem (CID 61121156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).