N-(2-amino-2-sulfanylideneethyl)-N,2-dimethylcyclopentane-1-carboxamide

C10H18N2OS — CID 107178697

IUPACN-(2-amino-2-sulfanylideneethyl)-N,2-dimethylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)N(C)CC(N)=S
InChIInChI=1S/C10H18N2OS/c1-7-4-3-5-8(7)10(13)12(2)6-9(11)14/h7-8H,3-6H2,1-2H3,(H2,11,14)
InChIKeyUHSMWRAOOPPYJV-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.17
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-N,2-dimethylcyclopentane-1-carboxamide

N-(2-amino-2-sulfanylideneethyl)-N,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107178697) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N,2-dimethylcyclopentane-1-carboxamide
PubChem CID107178697
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N,2-dimethylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)N(C)CC(N)=S
InChIInChI=1S/C10H18N2OS/c1-7-4-3-5-8(7)10(13)12(2)6-9(11)14/h7-8H,3-6H2,1-2H3,(H2,11,14)
InChIKeyUHSMWRAOOPPYJV-UHFFFAOYSA-N
XLogP1.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107178688
N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107174467
N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide
CID 79758470
2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977737
3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
CID 107175271
4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid
CID 107175150
cis-(1R,2S)-2-methylcyclopentane-1-carboxamide
CID 55289072
N-(2-aminoethyl)-N-cyclobutyl-2-methylcyclopentane-1-carboxamide
CID 107184819
2-[(2-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid
CID 107175437
N-(2-amino-1-cyclopropylethyl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107181073
2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978420
2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide
CID 62781010

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N,2-dimethylcyclopentane-1-carboxamide (CID 107178697) is N-(2-amino-2-sulfanylideneethyl)-N,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N,2-dimethylcyclopentane-1-carboxamide is CC1CCCC1C(=O)N(C)CC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is UHSMWRAOOPPYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7-4-3-5-8(7)10(13)12(2)6-9(11)14/h7-8H,3-6H2,1-2H3,(H2,11,14).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N,2-dimethylcyclopentane-1-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-N,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 214.33 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107178697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).