1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide

C17H28N2O4S — CID 52511301

IUPAC1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(C)o2)CC1
InChIInChI=1S/C17H28N2O4S/c1-4-5-12-24(21,22)19-10-8-15(9-11-19)17(20)18-14(3)16-7-6-13(2)23-16/h6-7,14-15H,4-5,8-12H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyOILZJBGLXNTZGM-AWEZNQCLSA-N
MW356.49 g/mol
LogP2.61
Rot. Bonds7

About 1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide

1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 52511301) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID52511301
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(C)o2)CC1
InChIInChI=1S/C17H28N2O4S/c1-4-5-12-24(21,22)19-10-8-15(9-11-19)17(20)18-14(3)16-7-6-13(2)23-16/h6-7,14-15H,4-5,8-12H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyOILZJBGLXNTZGM-AWEZNQCLSA-N
XLogP2.61
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[4-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 46443403
N-[1-(5-methylfuran-2-yl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241405
1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788014
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937
1-butylsulfonyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]piperidine-4-carboxamide
CID 60559363
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-butylsulfonylpiperidine-4-carboxamide
CID 55765140
1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 55778343
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 27782107
N-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119606604
1-butylsulfonyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
CID 55899817
1-ethylsulfonyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-4-carboxamide
CID 48664133

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide (CID 52511301) is 1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(C)o2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is OILZJBGLXNTZGM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-4-5-12-24(21,22)19-10-8-15(9-11-19)17(20)18-14(3)16-7-6-13(2)23-16/h6-7,14-15H,4-5,8-12H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of 1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide?
1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 52511301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).