N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide

C11H20N2OS — CID 61119214

IUPACN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide
SMILESCCC(C)(NC(=O)C1CCCC1)C(N)=S
InChIInChI=1S/C11H20N2OS/c1-3-11(2,10(12)15)13-9(14)8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyPBMUUGRPRPZIFG-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.75
Rot. Bonds4

About N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide

N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide (PubChem CID 61119214) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide
PubChem CID61119214
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide
SMILESCCC(C)(NC(=O)C1CCCC1)C(N)=S
InChIInChI=1S/C11H20N2OS/c1-3-11(2,10(12)15)13-9(14)8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyPBMUUGRPRPZIFG-UHFFFAOYSA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.75
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)-4-tert-butylcyclohexane-1-carboxamide
CID 62718713
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide
CID 61121156
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475556
N-[1-(2-aminocyclooctyl)-2-methyl-1-oxobutan-2-yl]cyclooctanecarboxamide
CID 123758150
N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
CID 64551753
N-(1-bromo-2-methylbutan-2-yl)cyclopentanecarboxamide
CID 114314310
N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide
CID 114315142
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79792508
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
CID 59903021
N-tert-butylcyclooctanecarboxamide
CID 65022804
N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
CID 114303618
2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119199669

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide (CID 61119214) is N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide is CCC(C)(NC(=O)C1CCCC1)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide?
The InChIKey is PBMUUGRPRPZIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-3-11(2,10(12)15)13-9(14)8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H2,12,15)(H,13,14).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide?
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide has a molecular weight of 228.36 g/mol, XLogP of 1.75, 4 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)cyclopentanecarboxamide is sourced from PubChem (CID 61119214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).