N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylcyclopentane-1-carboxamide

C12H22N2OS — CID 107178688

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylcyclopentane-1-carboxamide
SMILESCC(CN(C)C(=O)C1CCCC1C)C(N)=S
InChIInChI=1S/C12H22N2OS/c1-8-5-4-6-10(8)12(15)14(3)7-9(2)11(13)16/h8-10H,4-7H2,1-3H3,(H2,13,16)
InChIKeyGNWAWVKYPOVNNU-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.80
Rot. Bonds4

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylcyclopentane-1-carboxamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107178688) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylcyclopentane-1-carboxamide
PubChem CID107178688
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylcyclopentane-1-carboxamide
SMILESCC(CN(C)C(=O)C1CCCC1C)C(N)=S
InChIInChI=1S/C12H22N2OS/c1-8-5-4-6-10(8)12(15)14(3)7-9(2)11(13)16/h8-10H,4-7H2,1-3H3,(H2,13,16)
InChIKeyGNWAWVKYPOVNNU-UHFFFAOYSA-N
XLogP1.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylcyclopentane-1-carboxamide (CID 107178688) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylcyclopentane-1-carboxamide is CC(CN(C)C(=O)C1CCCC1C)C(N)=S.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is GNWAWVKYPOVNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-8-5-4-6-10(8)12(15)14(3)7-9(2)11(13)16/h8-10H,4-7H2,1-3H3,(H2,13,16).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylcyclopentane-1-carboxamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 242.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107178688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).