4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide

C14H27N3O3S — CID 61275448

IUPAC4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)C2CCC(N)CC2)CC1
InChIInChI=1S/C14H27N3O3S/c1-2-21(19,20)17-9-7-13(8-10-17)16-14(18)11-3-5-12(15)6-4-11/h11-13H,2-10,15H2,1H3,(H,16,18)
InChIKeyFTUJVZCNSHZUBV-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.43
Rot. Bonds4

About 4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide

4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide (PubChem CID 61275448) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is 4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide
PubChem CID61275448
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)C2CCC(N)CC2)CC1
InChIInChI=1S/C14H27N3O3S/c1-2-21(19,20)17-9-7-13(8-10-17)16-14(18)11-3-5-12(15)6-4-11/h11-13H,2-10,15H2,1H3,(H,16,18)
InChIKeyFTUJVZCNSHZUBV-UHFFFAOYSA-N
XLogP0.43
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
3-amino-N-(1-ethylsulfonylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119702890
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
N-(1-ethylsulfonylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide
CID 112728744
2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 61274504
ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
CID 60945042
N-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide
CID 79287512
N-cyclopropyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 3497697
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid
CID 61458277
N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779102
4-[(1-cyclopropylsulfonylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674300
4-amino-N-(1-propylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide
CID 79209151

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide (CID 61275448) is 4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide is CCS(=O)(=O)N1CCC(NC(=O)C2CCC(N)CC2)CC1.
What is the InChIKey of 4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is FTUJVZCNSHZUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-2-21(19,20)17-9-7-13(8-10-17)16-14(18)11-3-5-12(15)6-4-11/h11-13H,2-10,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide?
4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 61275448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).