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

C14H19N3O2S3 — CID 110368671

IUPACN-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1nc(CN2CCCCC2)cs1)c1cccs1
InChIInChI=1S/C14H19N3O2S3/c18-22(19,14-5-4-8-20-14)15-9-13-16-12(11-21-13)10-17-6-2-1-3-7-17/h4-5,8,11,15H,1-3,6-7,9-10H2
InChIKeyQXQNQEXKYWGPOU-UHFFFAOYSA-N
MW357.53 g/mol
LogP2.67
Rot. Bonds6

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

N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide (PubChem CID 110368671) has the molecular formula C14H19N3O2S3 and a molecular weight of 357.53 g/mol. Its IUPAC name is N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
PubChem CID110368671
Molecular FormulaC14H19N3O2S3
Molecular Weight357.53 g/mol
Exact Mass357.06
IUPAC NameN-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1nc(CN2CCCCC2)cs1)c1cccs1
InChIInChI=1S/C14H19N3O2S3/c18-22(19,14-5-4-8-20-14)15-9-13-16-12(11-21-13)10-17-6-2-1-3-7-17/h4-5,8,11,15H,1-3,6-7,9-10H2
InChIKeyQXQNQEXKYWGPOU-UHFFFAOYSA-N
XLogP2.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 110368685
4-methoxy-2-methyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 110368668
N-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 55648577
N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 91007223
N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62417685
1-benzyl-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]urea
CID 110368636
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 30183569
N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110359969
N-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 55479745
2,2-dimethyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 110368584
N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]cyclopentanesulfonamide
CID 110357349
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide
CID 122255050

Frequently Asked Questions

What is the IUPAC name of N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide (CID 110368671) is N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1nc(CN2CCCCC2)cs1)c1cccs1.
What is the InChIKey of N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is QXQNQEXKYWGPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S3/c18-22(19,14-5-4-8-20-14)15-9-13-16-12(11-21-13)10-17-6-2-1-3-7-17/h4-5,8,11,15H,1-3,6-7,9-10H2.
What are the key properties of N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide?
N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 357.53 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110368671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).