3-cyclobutyl-N-[(1S)-2,2-dimethylcyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

C14H24N2O3S — CID 128781863

IUPAC3-cyclobutyl-N-[(1S)-2,2-dimethylcyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCC1(C)C[C@@H]1NC(=O)N1CCS(=O)(=O)CC1C1CCC1
InChIInChI=1S/C14H24N2O3S/c1-14(2)8-12(14)15-13(17)16-6-7-20(18,19)9-11(16)10-4-3-5-10/h10-12H,3-9H2,1-2H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyYSESLJPJRMHCPZ-KIYNQFGBSA-N
MW300.42 g/mol
LogP1.39
Rot. Bonds2

About 3-cyclobutyl-N-[(1S)-2,2-dimethylcyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

3-cyclobutyl-N-[(1S)-2,2-dimethylcyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 128781863) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 3-cyclobutyl-N-[(1S)-2,2-dimethylcyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-N-[(1S)-2,2-dimethylcyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID128781863
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name3-cyclobutyl-N-[(1S)-2,2-dimethylcyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCC1(C)C[C@@H]1NC(=O)N1CCS(=O)(=O)CC1C1CCC1
InChIInChI=1S/C14H24N2O3S/c1-14(2)8-12(14)15-13(17)16-6-7-20(18,19)9-11(16)10-4-3-5-10/h10-12H,3-9H2,1-2H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyYSESLJPJRMHCPZ-KIYNQFGBSA-N
XLogP1.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclobutyl-N-[(1S)-2,2-dimethylcyclopropyl]-1,1-dioxo-1,4-thiazinane-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

3-cyclobutyl-N-(4-methoxycyclohexyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 128781794
1-[(2,2-dimethylcyclopropyl)carbamoyl]azepane-2-carboxylic acid
CID 64564491
N-(2,2-dimethylcyclopropyl)piperidine-1-carboxamide
CID 115590465
2-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82764549
1-[(2,2-dimethylcyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782384
2-(1,2-benzothiazol-3-yl)-1-(3-cyclobutyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 128891494
(1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 124729767
N-(4-chlorothiophen-3-yl)-3-cyclopropyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 167801733
4-[(2,2-dimethylcyclopropyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82905297
N-tert-butyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 115695145
(6R)-6-methyl-N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 124875303
1-(2-cyclohexylpyrrolidin-1-yl)-2-(1,1-dioxothiolan-3-yl)ethanone
CID 56816745

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-[(1S)-2,2-dimethylcyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of 3-cyclobutyl-N-[(1S)-2,2-dimethylcyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 128781863) is 3-cyclobutyl-N-[(1S)-2,2-dimethylcyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for 3-cyclobutyl-N-[(1S)-2,2-dimethylcyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for 3-cyclobutyl-N-[(1S)-2,2-dimethylcyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is CC1(C)C[C@@H]1NC(=O)N1CCS(=O)(=O)CC1C1CCC1.
What is the InChIKey of 3-cyclobutyl-N-[(1S)-2,2-dimethylcyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is YSESLJPJRMHCPZ-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-14(2)8-12(14)15-13(17)16-6-7-20(18,19)9-11(16)10-4-3-5-10/h10-12H,3-9H2,1-2H3,(H,15,17)/t11?,12-/m0/s1.
What are the key properties of 3-cyclobutyl-N-[(1S)-2,2-dimethylcyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
3-cyclobutyl-N-[(1S)-2,2-dimethylcyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 300.42 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-[(1S)-2,2-dimethylcyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 128781863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).