N-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide

C17H25N3O2S3 — CID 55648577

IUPACN-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESCCCCc1nc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)cs1
InChIInChI=1S/C17H25N3O2S3/c1-2-3-5-16-18-15(13-24-16)12-20-9-7-14(8-10-20)19-25(21,22)17-6-4-11-23-17/h4,6,11,13-14,19H,2-3,5,7-10,12H2,1H3
InChIKeySWDWDSDPYOUNEL-UHFFFAOYSA-N
MW399.61 g/mol
LogP3.49
Rot. Bonds8

About N-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide

N-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 55648577) has the molecular formula C17H25N3O2S3 and a molecular weight of 399.61 g/mol. Its IUPAC name is N-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID55648577
Molecular FormulaC17H25N3O2S3
Molecular Weight399.61 g/mol
Exact Mass399.11
IUPAC NameN-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESCCCCc1nc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)cs1
InChIInChI=1S/C17H25N3O2S3/c1-2-3-5-16-18-15(13-24-16)12-20-9-7-14(8-10-20)19-25(21,22)17-6-4-11-23-17/h4,6,11,13-14,19H,2-3,5,7-10,12H2,1H3
InChIKeySWDWDSDPYOUNEL-UHFFFAOYSA-N
XLogP3.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.61
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 55479745
N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 110368671
N-[(3R)-1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanesulfonamide
CID 94825826
(2S)-2-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51941289
N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 55537974
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 60506544
N-cyclopropyl-N-ethyl-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 55648993
1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 110020463
N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119930328
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
N-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 87013934
N,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide
CID 55989493

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide (CID 55648577) is N-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide is CCCCc1nc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)cs1.
What is the InChIKey of N-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is SWDWDSDPYOUNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S3/c1-2-3-5-16-18-15(13-24-16)12-20-9-7-14(8-10-20)19-25(21,22)17-6-4-11-23-17/h4,6,11,13-14,19H,2-3,5,7-10,12H2,1H3.
What are the key properties of N-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 399.61 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 55648577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).