N-(2,6-dimethylcyclohexyl)-1,1-dioxothian-4-amine

C13H25NO2S — CID 43614943

IUPACN-(2,6-dimethylcyclohexyl)-1,1-dioxothian-4-amine
SMILESCC1CCCC(C)C1NC1CCS(=O)(=O)CC1
InChIInChI=1S/C13H25NO2S/c1-10-4-3-5-11(2)13(10)14-12-6-8-17(15,16)9-7-12/h10-14H,3-9H2,1-2H3
InChIKeyGJVOHTWLFNKINX-UHFFFAOYSA-N
MW259.41 g/mol
LogP1.98
Rot. Bonds2

About N-(2,6-dimethylcyclohexyl)-1,1-dioxothian-4-amine

N-(2,6-dimethylcyclohexyl)-1,1-dioxothian-4-amine (PubChem CID 43614943) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-1,1-dioxothian-4-amine
PubChem CID43614943
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC NameN-(2,6-dimethylcyclohexyl)-1,1-dioxothian-4-amine
SMILESCC1CCCC(C)C1NC1CCS(=O)(=O)CC1
InChIInChI=1S/C13H25NO2S/c1-10-4-3-5-11(2)13(10)14-12-6-8-17(15,16)9-7-12/h10-14H,3-9H2,1-2H3
InChIKeyGJVOHTWLFNKINX-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Thia-4-azaspiro[5.5]undecane, 1,1-dioxide
CID 71755714
(3S)-N-(4-ethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 28435939
3,3,5-trimethyl-N-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine
CID 75422581
N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine
CID 75500184
2-cyclohexyl-N-[(1,1-dioxothiolan-2-yl)methyl]cyclohexan-1-amine
CID 75539689
N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine
CID 121538265
1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43730474
1,1-dioxo-N-[2-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43730757
1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43747496
1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 63923212
1,1-dioxo-N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 63923408
1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 63924394

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-1,1-dioxothian-4-amine?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-1,1-dioxothian-4-amine (CID 43614943) is N-(2,6-dimethylcyclohexyl)-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-1,1-dioxothian-4-amine?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-1,1-dioxothian-4-amine is CC1CCCC(C)C1NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-1,1-dioxothian-4-amine?
The InChIKey is GJVOHTWLFNKINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-10-4-3-5-11(2)13(10)14-12-6-8-17(15,16)9-7-12/h10-14H,3-9H2,1-2H3.
What are the key properties of N-(2,6-dimethylcyclohexyl)-1,1-dioxothian-4-amine?
N-(2,6-dimethylcyclohexyl)-1,1-dioxothian-4-amine has a molecular weight of 259.41 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-1,1-dioxothian-4-amine is sourced from PubChem (CID 43614943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).