3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide

C18H25N3O3S2 — CID 90597538

IUPAC3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NC2CCN(c3nccs3)CC2)cc1C
InChIInChI=1S/C18H25N3O3S2/c1-3-11-24-17-5-4-16(13-14(17)2)26(22,23)20-15-6-9-21(10-7-15)18-19-8-12-25-18/h4-5,8,12-13,15,20H,3,6-7,9-11H2,1-2H3
InChIKeySSDOBIUAPIPVRW-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.19
Rot. Bonds7

About 3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide

3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide (PubChem CID 90597538) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
PubChem CID90597538
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC Name3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NC2CCN(c3nccs3)CC2)cc1C
InChIInChI=1S/C18H25N3O3S2/c1-3-11-24-17-5-4-16(13-14(17)2)26(22,23)20-15-6-9-21(10-7-15)18-19-8-12-25-18/h4-5,8,12-13,15,20H,3,6-7,9-11H2,1-2H3
InChIKeySSDOBIUAPIPVRW-UHFFFAOYSA-N
XLogP3.19
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide
CID 35202091
3,4-difluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597498
3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597489
4-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 71810066
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597507
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
CID 90597545
4-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597570
N-(1-cyclopropylpiperidin-4-yl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 55639325
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide
CID 90597476
N-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide
CID 90498901
2,5-dichloro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597536
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712587

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide (CID 90597538) is 3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide is CCCOc1ccc(S(=O)(=O)NC2CCN(c3nccs3)CC2)cc1C.
What is the InChIKey of 3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is SSDOBIUAPIPVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-3-11-24-17-5-4-16(13-14(17)2)26(22,23)20-15-6-9-21(10-7-15)18-19-8-12-25-18/h4-5,8,12-13,15,20H,3,6-7,9-11H2,1-2H3.
What are the key properties of 3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide?
3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 395.55 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 90597538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).