N-[3-(cyclohexylamino)-3-oxopropyl]-1-methylsulfonylpiperidine-2-carboxamide

C16H29N3O4S — CID 55979331

IUPACN-[3-(cyclohexylamino)-3-oxopropyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)NCCC(=O)NC1CCCCC1
InChIInChI=1S/C16H29N3O4S/c1-24(22,23)19-12-6-5-9-14(19)16(21)17-11-10-15(20)18-13-7-3-2-4-8-13/h13-14H,2-12H2,1H3,(H,17,21)(H,18,20)
InChIKeyQIBFDSOLIVLJCR-UHFFFAOYSA-N
MW359.49 g/mol
LogP0.76
Rot. Bonds6

About N-[3-(cyclohexylamino)-3-oxopropyl]-1-methylsulfonylpiperidine-2-carboxamide

N-[3-(cyclohexylamino)-3-oxopropyl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 55979331) has the molecular formula C16H29N3O4S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)-3-oxopropyl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)-3-oxopropyl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID55979331
Molecular FormulaC16H29N3O4S
Molecular Weight359.49 g/mol
Exact Mass359.19
IUPAC NameN-[3-(cyclohexylamino)-3-oxopropyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)NCCC(=O)NC1CCCCC1
InChIInChI=1S/C16H29N3O4S/c1-24(22,23)19-12-6-5-9-14(19)16(21)17-11-10-15(20)18-13-7-3-2-4-8-13/h13-14H,2-12H2,1H3,(H,17,21)(H,18,20)
InChIKeyQIBFDSOLIVLJCR-UHFFFAOYSA-N
XLogP0.76
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclohexyl-1-methylsulfonylpiperidine-2-carboxamide
CID 31407568
(2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94106905
6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 43352987
(2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 33249875
(2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 124805895
(2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94026393
2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 62676219
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 66172342
N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 65309919
3-(carbamoylamino)-N-cyclohexylpropanamide
CID 47116358
N-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 103280167

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-1-methylsulfonylpiperidine-2-carboxamide (CID 55979331) is N-[3-(cyclohexylamino)-3-oxopropyl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[3-(cyclohexylamino)-3-oxopropyl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[3-(cyclohexylamino)-3-oxopropyl]-1-methylsulfonylpiperidine-2-carboxamide is CS(=O)(=O)N1CCCCC1C(=O)NCCC(=O)NC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylamino)-3-oxopropyl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is QIBFDSOLIVLJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4S/c1-24(22,23)19-12-6-5-9-14(19)16(21)17-11-10-15(20)18-13-7-3-2-4-8-13/h13-14H,2-12H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-[3-(cyclohexylamino)-3-oxopropyl]-1-methylsulfonylpiperidine-2-carboxamide?
N-[3-(cyclohexylamino)-3-oxopropyl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 359.49 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)-3-oxopropyl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 55979331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).