N-cyclopropyl-4-methyl-N-(3-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide

C12H20N2O3S2 — CID 54884425

IUPACN-cyclopropyl-4-methyl-N-(3-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(CCC(C)C)C1CC1
InChIInChI=1S/C12H20N2O3S2/c1-8(2)6-7-14(10-4-5-10)19(16,17)11-9(3)13-12(15)18-11/h8,10H,4-7H2,1-3H3,(H,13,15)
InChIKeyCZNIWCIUUYQVON-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.94
Rot. Bonds6

About N-cyclopropyl-4-methyl-N-(3-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-cyclopropyl-4-methyl-N-(3-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 54884425) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-N-(3-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-N-(3-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID54884425
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC NameN-cyclopropyl-4-methyl-N-(3-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(CCC(C)C)C1CC1
InChIInChI=1S/C12H20N2O3S2/c1-8(2)6-7-14(10-4-5-10)19(16,17)11-9(3)13-12(15)18-11/h8,10H,4-7H2,1-3H3,(H,13,15)
InChIKeyCZNIWCIUUYQVON-UHFFFAOYSA-N
XLogP1.94
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-N-(3-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-cyclopropyl-4-methyl-N-(3-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 54884425) is N-cyclopropyl-4-methyl-N-(3-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-N-(3-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-cyclopropyl-4-methyl-N-(3-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)N(CCC(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-4-methyl-N-(3-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is CZNIWCIUUYQVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-8(2)6-7-14(10-4-5-10)19(16,17)11-9(3)13-12(15)18-11/h8,10H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-cyclopropyl-4-methyl-N-(3-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-cyclopropyl-4-methyl-N-(3-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-N-(3-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54884425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).