N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide

C17H31NO3S — CID 75407298

IUPACN-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C17H31NO3S/c1-4-17(2,3)14-5-7-15(8-6-14)18-16(19)13-9-11-22(20,21)12-10-13/h13-15H,4-12H2,1-3H3,(H,18,19)
InChIKeyYSGUMPJEZYHDCU-UHFFFAOYSA-N
MW329.51 g/mol
LogP2.92
Rot. Bonds4

About N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide

N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide (PubChem CID 75407298) has the molecular formula C17H31NO3S and a molecular weight of 329.51 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide
PubChem CID75407298
Molecular FormulaC17H31NO3S
Molecular Weight329.51 g/mol
Exact Mass329.20
IUPAC NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C17H31NO3S/c1-4-17(2,3)14-5-7-15(8-6-14)18-16(19)13-9-11-22(20,21)12-10-13/h13-15H,4-12H2,1-3H3,(H,18,19)
InChIKeyYSGUMPJEZYHDCU-UHFFFAOYSA-N
XLogP2.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 120618489
N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolane-2-carboxamide
CID 17191152
3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 43696457
(2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
CID 119272259
(2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide
CID 103928588
N-cyclopropyl-1-[6-(2-methylbutan-2-yl)spiro[2.5]octane-2-carbonyl]piperidine-4-carboxamide
CID 167754862
N-[(1R,3R)-3-aminocyclopentyl]-1,1-dioxothiane-4-carboxamide
CID 56742780
2-methyl-3-(methylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 79195672
3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 62727193
3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060
4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide
CID 114422931
3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide
CID 107067277

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide?
The IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide (CID 75407298) is N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide is CCC(C)(C)C1CCC(NC(=O)C2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide?
The InChIKey is YSGUMPJEZYHDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3S/c1-4-17(2,3)14-5-7-15(8-6-14)18-16(19)13-9-11-22(20,21)12-10-13/h13-15H,4-12H2,1-3H3,(H,18,19).
What are the key properties of N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide?
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide has a molecular weight of 329.51 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide is sourced from PubChem (CID 75407298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).