3-chloro-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1-sulfonamide

C10H17ClN2O2S2 — CID 79585000

IUPAC3-chloro-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1-sulfonamide
SMILESCc1ncsc1CN(C)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C10H17ClN2O2S2/c1-8(4-11)6-17(14,15)13(3)5-10-9(2)12-7-16-10/h7-8H,4-6H2,1-3H3
InChIKeyANEVLZFAJZMZPU-UHFFFAOYSA-N
MW296.85 g/mol
LogP2.09
Rot. Bonds6

About 3-chloro-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1-sulfonamide

3-chloro-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1-sulfonamide (PubChem CID 79585000) has the molecular formula C10H17ClN2O2S2 and a molecular weight of 296.85 g/mol. Its IUPAC name is 3-chloro-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1-sulfonamide
PubChem CID79585000
Molecular FormulaC10H17ClN2O2S2
Molecular Weight296.85 g/mol
Exact Mass296.04
IUPAC Name3-chloro-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1-sulfonamide
SMILESCc1ncsc1CN(C)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C10H17ClN2O2S2/c1-8(4-11)6-17(14,15)13(3)5-10-9(2)12-7-16-10/h7-8H,4-6H2,1-3H3
InChIKeyANEVLZFAJZMZPU-UHFFFAOYSA-N
XLogP2.09
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1-sulfonamide
CID 63836299
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide
CID 63822516
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]propanoic acid
CID 63843969
4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid
CID 55261145
3-chloro-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propane-1-sulfonamide
CID 79580904
4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63841886
3-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide
CID 103306092
3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 81258946
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 55262102
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide
CID 103306091
5-chloro-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide
CID 55259471
3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide
CID 79580377

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1-sulfonamide (CID 79585000) is 3-chloro-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1-sulfonamide is Cc1ncsc1CN(C)S(=O)(=O)CC(C)CCl.
What is the InChIKey of 3-chloro-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1-sulfonamide?
The InChIKey is ANEVLZFAJZMZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2S2/c1-8(4-11)6-17(14,15)13(3)5-10-9(2)12-7-16-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-chloro-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1-sulfonamide?
3-chloro-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1-sulfonamide has a molecular weight of 296.85 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 79585000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).