N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine

C15H29NO2S — CID 43614944

IUPACN-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine
SMILESCC1CCC(C(C)C)C(NC2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C15H29NO2S/c1-11(2)14-5-4-12(3)10-15(14)16-13-6-8-19(17,18)9-7-13/h11-16H,4-10H2,1-3H3
InChIKeyQCOFKEMCZAUSAY-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.61
Rot. Bonds3

About N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine

N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine (PubChem CID 43614944) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine
PubChem CID43614944
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC NameN-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine
SMILESCC1CCC(C(C)C)C(NC2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C15H29NO2S/c1-11(2)14-5-4-12(3)10-15(14)16-13-6-8-19(17,18)9-7-13/h11-16H,4-10H2,1-3H3
InChIKeyQCOFKEMCZAUSAY-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-propan-2-yl-N-(3-propan-2-ylcyclobutyl)cyclohexan-1-amine
CID 103561293
5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
CID 43317464
4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 43748782
N-(5-methyl-2-propan-2-ylcyclohexyl)azepan-4-amine
CID 103981217
N-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43710247
N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
CID 59847881
N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 63993922
1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-amine
CID 115720105
N-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide
CID 61383803
(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103906936
2,2,5,5-tetramethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)oxolan-3-amine
CID 79918089
3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide
CID 113250248

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine?
The IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine (CID 43614944) is N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine?
The canonical SMILES for N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine is CC1CCC(C(C)C)C(NC2CCS(=O)(=O)CC2)C1.
What is the InChIKey of N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine?
The InChIKey is QCOFKEMCZAUSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-11(2)14-5-4-12(3)10-15(14)16-13-6-8-19(17,18)9-7-13/h11-16H,4-10H2,1-3H3.
What are the key properties of N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine?
N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine has a molecular weight of 287.47 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine is sourced from PubChem (CID 43614944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).