2-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazole-5-sulfonamide

C9H15N3O2S2 — CID 107423383

IUPAC2-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC2(C)CCNC2)s1
InChIInChI=1S/C9H15N3O2S2/c1-7-11-5-8(15-7)16(13,14)12-9(2)3-4-10-6-9/h5,10,12H,3-4,6H2,1-2H3
InChIKeyCNCMHQFVEOEXIA-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.48
Rot. Bonds3

About 2-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazole-5-sulfonamide

2-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 107423383) has the molecular formula C9H15N3O2S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazole-5-sulfonamide
PubChem CID107423383
Molecular FormulaC9H15N3O2S2
Molecular Weight261.37 g/mol
Exact Mass261.06
IUPAC Name2-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC2(C)CCNC2)s1
InChIInChI=1S/C9H15N3O2S2/c1-7-11-5-8(15-7)16(13,14)12-9(2)3-4-10-6-9/h5,10,12H,3-4,6H2,1-2H3
InChIKeyCNCMHQFVEOEXIA-UHFFFAOYSA-N
XLogP0.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazole-5-sulfonamide (CID 107423383) is 2-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NC2(C)CCNC2)s1.
What is the InChIKey of 2-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is CNCMHQFVEOEXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S2/c1-7-11-5-8(15-7)16(13,14)12-9(2)3-4-10-6-9/h5,10,12H,3-4,6H2,1-2H3.
What are the key properties of 2-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazole-5-sulfonamide?
2-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 261.37 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 107423383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).