N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butane-1-sulfonamide

C11H20N2O2S2 — CID 110440601

IUPACN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCc1nc(C)cs1
InChIInChI=1S/C11H20N2O2S2/c1-3-4-8-17(14,15)12-7-5-6-11-13-10(2)9-16-11/h9,12H,3-8H2,1-2H3
InChIKeyTYSLXVKDRYHILF-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.10
Rot. Bonds8

About N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butane-1-sulfonamide

N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butane-1-sulfonamide (PubChem CID 110440601) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butane-1-sulfonamide
PubChem CID110440601
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC NameN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCc1nc(C)cs1
InChIInChI=1S/C11H20N2O2S2/c1-3-4-8-17(14,15)12-7-5-6-11-13-10(2)9-16-11/h9,12H,3-8H2,1-2H3
InChIKeyTYSLXVKDRYHILF-UHFFFAOYSA-N
XLogP2.10
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 110739268
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide
CID 110317579
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide
CID 71691448
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide
CID 110440600
(2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 98314597
2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374878
N-decylbutane-1-sulfonamide
CID 19681427
N-[4-(4-methylphenyl)butyl]butane-1-sulfonamide
CID 110288710
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide
CID 63240116
4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 79570352
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine
CID 63946760

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butane-1-sulfonamide?
The IUPAC name of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butane-1-sulfonamide (CID 110440601) is N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butane-1-sulfonamide.
What is the SMILES notation for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butane-1-sulfonamide?
The canonical SMILES for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCCc1nc(C)cs1.
What is the InChIKey of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butane-1-sulfonamide?
The InChIKey is TYSLXVKDRYHILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-3-4-8-17(14,15)12-7-5-6-11-13-10(2)9-16-11/h9,12H,3-8H2,1-2H3.
What are the key properties of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butane-1-sulfonamide?
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butane-1-sulfonamide has a molecular weight of 276.43 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butane-1-sulfonamide is sourced from PubChem (CID 110440601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).