3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide

C10H17ClN2O2S2 — CID 79585893

IUPAC3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide
SMILESCCC(NS(=O)(=O)CC(C)CCl)c1nccs1
InChIInChI=1S/C10H17ClN2O2S2/c1-3-9(10-12-4-5-16-10)13-17(14,15)7-8(2)6-11/h4-5,8-9,13H,3,6-7H2,1-2H3
InChIKeyAIDZCBHUARGUME-UHFFFAOYSA-N
MW296.85 g/mol
LogP2.39
Rot. Bonds7

About 3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide

3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide (PubChem CID 79585893) has the molecular formula C10H17ClN2O2S2 and a molecular weight of 296.85 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide
PubChem CID79585893
Molecular FormulaC10H17ClN2O2S2
Molecular Weight296.85 g/mol
Exact Mass296.04
IUPAC Name3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide
SMILESCCC(NS(=O)(=O)CC(C)CCl)c1nccs1
InChIInChI=1S/C10H17ClN2O2S2/c1-3-9(10-12-4-5-16-10)13-17(14,15)7-8(2)6-11/h4-5,8-9,13H,3,6-7H2,1-2H3
InChIKeyAIDZCBHUARGUME-UHFFFAOYSA-N
XLogP2.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide 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-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide
CID 124506403
N-[1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide
CID 122564380
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
3-chloro-2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]propane-1-sulfonamide
CID 79585858
5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
CID 124595092
2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 81435158
5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
CID 79941148
3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 79884780
3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide
CID 79580360
4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 82843811
4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 102562347
(2R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide
CID 99803435

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide (CID 79585893) is 3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide is CCC(NS(=O)(=O)CC(C)CCl)c1nccs1.
What is the InChIKey of 3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide?
The InChIKey is AIDZCBHUARGUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2S2/c1-3-9(10-12-4-5-16-10)13-17(14,15)7-8(2)6-11/h4-5,8-9,13H,3,6-7H2,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide?
3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide has a molecular weight of 296.85 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide is sourced from PubChem (CID 79585893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).