2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide

C10H18ClN3O2S2 — CID 106033856

IUPAC2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide
SMILESCC(C)N(C)CCCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H18ClN3O2S2/c1-8(2)14(3)6-4-5-13-18(15,16)9-7-12-10(11)17-9/h7-8,13H,4-6H2,1-3H3
InChIKeyCGCSIWUAYDVJME-UHFFFAOYSA-N
MW311.86 g/mol
LogP1.81
Rot. Bonds7

About 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide (PubChem CID 106033856) has the molecular formula C10H18ClN3O2S2 and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide
PubChem CID106033856
Molecular FormulaC10H18ClN3O2S2
Molecular Weight311.86 g/mol
Exact Mass311.05
IUPAC Name2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide
SMILESCC(C)N(C)CCCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H18ClN3O2S2/c1-8(2)14(3)6-4-5-13-18(15,16)9-7-12-10(11)17-9/h7-8,13H,4-6H2,1-3H3
InChIKeyCGCSIWUAYDVJME-UHFFFAOYSA-N
XLogP1.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide
CID 61051529
2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide
CID 104760009
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide
CID 62845217
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide
CID 106033837
2-chloro-N-(2-methoxypropyl)-1,3-thiazole-5-sulfonamide
CID 102697806
5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
CID 64608986
2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide
CID 107151868
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
CID 113226739
2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 43455781
2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
CID 61047095
5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]thiophene-2-carbothioamide
CID 106270991
3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 113409837

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide (CID 106033856) is 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide is CC(C)N(C)CCCNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is CGCSIWUAYDVJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2S2/c1-8(2)14(3)6-4-5-13-18(15,16)9-7-12-10(11)17-9/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 311.86 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 106033856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).