N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine

C12H23NO2S — CID 63993922

IUPACN-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine
SMILESCC1CCC(NC2CCS(=O)(=O)C2)C(C)C1
InChIInChI=1S/C12H23NO2S/c1-9-3-4-12(10(2)7-9)13-11-5-6-16(14,15)8-11/h9-13H,3-8H2,1-2H3
InChIKeyFHXYKFXYRVCNEC-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.59
Rot. Bonds2

About N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine

N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine (PubChem CID 63993922) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine
PubChem CID63993922
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine
SMILESCC1CCC(NC2CCS(=O)(=O)C2)C(C)C1
InChIInChI=1S/C12H23NO2S/c1-9-3-4-12(10(2)7-9)13-11-5-6-16(14,15)8-11/h9-13H,3-8H2,1-2H3
InChIKeyFHXYKFXYRVCNEC-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 16784113
2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
CID 64501138
N-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine
CID 43757116
N-(2,4-dimethylcyclohexyl)spiro[4.5]decan-8-amine
CID 114817674
[2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol
CID 131041538
N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine
CID 43614944
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
(3S,4S)-4-methyl-N-(3-methylcyclobutyl)-1,1-dioxothiolan-3-amine
CID 131002770
N-(1,1-dioxothiolan-3-yl)-1,5-dimethylpyrrolidin-3-amine
CID 81300872
N-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine
CID 115707658
4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol
CID 60896483
1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine
CID 115707651

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine (CID 63993922) is N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine is CC1CCC(NC2CCS(=O)(=O)C2)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine?
The InChIKey is FHXYKFXYRVCNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-9-3-4-12(10(2)7-9)13-11-5-6-16(14,15)8-11/h9-13H,3-8H2,1-2H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine?
N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine has a molecular weight of 245.39 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 63993922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).