N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C14H22N2O3S2 — CID 51228957

IUPACN-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C14H22N2O3S2/c1-3-11(2)15-14(17)12-6-4-8-16(10-12)21(18,19)13-7-5-9-20-13/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3,(H,15,17)
InChIKeyDBQQDMDQYCJURJ-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.06
Rot. Bonds5

About N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 51228957) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID51228957
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC NameN-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C14H22N2O3S2/c1-3-11(2)15-14(17)12-6-4-8-16(10-12)21(18,19)13-7-5-9-20-13/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3,(H,15,17)
InChIKeyDBQQDMDQYCJURJ-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
(3R)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9143984
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(3R)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 95161873
N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 134006152
(3S)-N-[(1S)-3-methyl-1-phenylbutyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94012606
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
N-(1-pyridin-4-ylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 18160601
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 133191545
(3S)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 125084727
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 51228957) is N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CCC(C)NC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is DBQQDMDQYCJURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-3-11(2)15-14(17)12-6-4-8-16(10-12)21(18,19)13-7-5-9-20-13/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3,(H,15,17).
What are the key properties of N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 51228957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).