3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide

C16H26N2O3S2 — CID 55524372

IUPAC3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide
SMILESCCCN(CCC)C(=O)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H26N2O3S2/c1-3-9-17(10-4-2)16(19)15-14(8-13-22-15)23(20,21)18-11-6-5-7-12-18/h8,13H,3-7,9-12H2,1-2H3
InChIKeyXVHNTHVIELVXNY-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.18
Rot. Bonds7

About 3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide

3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide (PubChem CID 55524372) has the molecular formula C16H26N2O3S2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide
PubChem CID55524372
Molecular FormulaC16H26N2O3S2
Molecular Weight358.53 g/mol
Exact Mass358.14
IUPAC Name3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide
SMILESCCCN(CCC)C(=O)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H26N2O3S2/c1-3-9-17(10-4-2)16(19)15-14(8-13-22-15)23(20,21)18-11-6-5-7-12-18/h8,13H,3-7,9-12H2,1-2H3
InChIKeyXVHNTHVIELVXNY-UHFFFAOYSA-N
XLogP3.18
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 51338450
(4-methylpiperazin-1-yl)-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 134033914
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 24667638
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 51338589
N-[3-(dimethylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037246
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55514772
N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 32886702
N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 51338664
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 43051837
3-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 17221108
N-[2-(2-methylpropanoylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32626260
2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide
CID 55347248

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide (CID 55524372) is 3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide is CCCN(CCC)C(=O)c1sccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide?
The InChIKey is XVHNTHVIELVXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S2/c1-3-9-17(10-4-2)16(19)15-14(8-13-22-15)23(20,21)18-11-6-5-7-12-18/h8,13H,3-7,9-12H2,1-2H3.
What are the key properties of 3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide?
3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide is sourced from PubChem (CID 55524372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).