N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-methylcyclohexane-1-carboxamide

C12H22N2OS — CID 106827317

IUPACN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NC(C)(C)C(N)=S)CCCCC1
InChIInChI=1S/C12H22N2OS/c1-11(2,9(13)16)14-10(15)12(3)7-5-4-6-8-12/h4-8H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyFUVMVSNXIVOWEL-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.14
Rot. Bonds3

About N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-methylcyclohexane-1-carboxamide

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106827317) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-methylcyclohexane-1-carboxamide
PubChem CID106827317
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NC(C)(C)C(N)=S)CCCCC1
InChIInChI=1S/C12H22N2OS/c1-11(2,9(13)16)14-10(15)12(3)7-5-4-6-8-12/h4-8H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyFUVMVSNXIVOWEL-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.14
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-1-hydroxyimino-2-methylpropan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106828674
(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea
CID 61121623
N-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106829007
N-(3-amino-3-sulfanylidenepropyl)-1-methylcyclohexane-1-carboxamide
CID 106827346
1-methyl-N-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxamide
CID 82723804
methyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate
CID 106828159
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-carbamothioyl-3-methylcyclobutane-1-carboxamide
CID 80590199
methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate
CID 106828162
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106828708
N-(2-hydroxy-2-methylpropyl)-1-methylcyclopentane-1-carboxamide
CID 79039696
N-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106827308
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide
CID 104873764

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-methylcyclohexane-1-carboxamide (CID 106827317) is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-methylcyclohexane-1-carboxamide is CC1(C(=O)NC(C)(C)C(N)=S)CCCCC1.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is FUVMVSNXIVOWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-11(2,9(13)16)14-10(15)12(3)7-5-4-6-8-12/h4-8H2,1-3H3,(H2,13,16)(H,14,15).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-methylcyclohexane-1-carboxamide?
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 242.39 g/mol, XLogP of 2.14, 3 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-sulfanylidenepropan-2-yl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106827317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).