2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazole-5-sulfonamide

C10H18ClN3O2S2 — CID 43455856

IUPAC2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazole-5-sulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H18ClN3O2S2/c1-10(2,7-14(3)4)6-13-18(15,16)8-5-12-9(11)17-8/h5,13H,6-7H2,1-4H3
InChIKeySOBDVPQSQXDIQH-UHFFFAOYSA-N
MW311.86 g/mol
LogP1.66
Rot. Bonds6

About 2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazole-5-sulfonamide (PubChem CID 43455856) has the molecular formula C10H18ClN3O2S2 and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazole-5-sulfonamide
PubChem CID43455856
Molecular FormulaC10H18ClN3O2S2
Molecular Weight311.86 g/mol
Exact Mass311.05
IUPAC Name2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazole-5-sulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H18ClN3O2S2/c1-10(2,7-14(3)4)6-13-18(15,16)8-5-12-9(11)17-8/h5,13H,6-7H2,1-4H3
InChIKeySOBDVPQSQXDIQH-UHFFFAOYSA-N
XLogP1.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazole-5-sulfonamide (CID 43455856) is 2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazole-5-sulfonamide is CN(C)CC(C)(C)CNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is SOBDVPQSQXDIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2S2/c1-10(2,7-14(3)4)6-13-18(15,16)8-5-12-9(11)17-8/h5,13H,6-7H2,1-4H3.
What are the key properties of 2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 311.86 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).