N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide

C13H21N3O3S2 — CID 110822400

IUPACN-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C13H21N3O3S2/c1-10(2)14-13(17)16-7-5-11(6-8-16)15-21(18,19)12-4-3-9-20-12/h3-4,9-11,15H,5-8H2,1-2H3,(H,14,17)
InChIKeyITONXCSGAHIKQT-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.61
Rot. Bonds4

About N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide

N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 110822400) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
PubChem CID110822400
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC NameN-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C13H21N3O3S2/c1-10(2)14-13(17)16-7-5-11(6-8-16)15-21(18,19)12-4-3-9-20-12/h3-4,9-11,15H,5-8H2,1-2H3,(H,14,17)
InChIKeyITONXCSGAHIKQT-UHFFFAOYSA-N
XLogP1.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 41200370
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
N-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 55569665
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 55484909
N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 48851978
N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide
CID 55479196
N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822347
N-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 71970091
4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide
CID 166343391
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide (CID 110822400) is N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide is CC(C)NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is ITONXCSGAHIKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c1-10(2)14-13(17)16-7-5-11(6-8-16)15-21(18,19)12-4-3-9-20-12/h3-4,9-11,15H,5-8H2,1-2H3,(H,14,17).
What are the key properties of N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide?
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 110822400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).