N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

C14H17ClN2O3S — CID 95775493

IUPACN-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H17ClN2O3S/c15-11-3-1-2-10(8-11)12-9-13(12)16-14(18)17-4-6-21(19,20)7-5-17/h1-3,8,12-13H,4-7,9H2,(H,16,18)/t12-,13+/m0/s1
InChIKeyRGNGDJRFSQJQHM-QWHCGFSZSA-N
MW328.82 g/mol
LogP1.64
Rot. Bonds2

About N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 95775493) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID95775493
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC NameN-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H17ClN2O3S/c15-11-3-1-2-10(8-11)12-9-13(12)16-14(18)17-4-6-21(19,20)7-5-17/h1-3,8,12-13H,4-7,9H2,(H,16,18)/t12-,13+/m0/s1
InChIKeyRGNGDJRFSQJQHM-QWHCGFSZSA-N
XLogP1.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-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

N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97011138
(3S,4S)-1-[[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122012883
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-(4-methyl-1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 136582922
(5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99107522
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 122139781
(2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide
CID 100850236
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide
CID 159264304
N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide
CID 23790831
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide
CID 166359275
1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide
CID 95588991
4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboxamide
CID 3461621
4-methyl-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 60586425

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 95775493) is N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is RGNGDJRFSQJQHM-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c15-11-3-1-2-10(8-11)12-9-13(12)16-14(18)17-4-6-21(19,20)7-5-17/h1-3,8,12-13H,4-7,9H2,(H,16,18)/t12-,13+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 328.82 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 95775493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).