1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-cyclohexylsulfonyl-3-methylbutan-1-one

C18H34N2O3S — CID 120816612

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-cyclohexylsulfonyl-3-methylbutan-1-one
SMILESCC(C)C(C(=O)N1CCC(N)C(C)(C)C1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C18H34N2O3S/c1-13(2)16(24(22,23)14-8-6-5-7-9-14)17(21)20-11-10-15(19)18(3,4)12-20/h13-16H,5-12,19H2,1-4H3
InChIKeyUSEVUBQNRXBZLW-UHFFFAOYSA-N
MW358.55 g/mol
LogP2.34
Rot. Bonds4

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-cyclohexylsulfonyl-3-methylbutan-1-one

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-cyclohexylsulfonyl-3-methylbutan-1-one (PubChem CID 120816612) has the molecular formula C18H34N2O3S and a molecular weight of 358.55 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-cyclohexylsulfonyl-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-cyclohexylsulfonyl-3-methylbutan-1-one
PubChem CID120816612
Molecular FormulaC18H34N2O3S
Molecular Weight358.55 g/mol
Exact Mass358.23
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-cyclohexylsulfonyl-3-methylbutan-1-one
SMILESCC(C)C(C(=O)N1CCC(N)C(C)(C)C1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C18H34N2O3S/c1-13(2)16(24(22,23)14-8-6-5-7-9-14)17(21)20-11-10-15(19)18(3,4)12-20/h13-16H,5-12,19H2,1-4H3
InChIKeyUSEVUBQNRXBZLW-UHFFFAOYSA-N
XLogP2.34
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2R)-2-cyclohexylsulfonyl-3-methylbutanoyl]pyrrolidine-3-carboxamide
CID 98407795
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 120820178
N-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120820062
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one
CID 120819076
(4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone
CID 120820176
(2S)-2-cyclohexylsulfonyl-3-methylbutanoic acid
CID 51889993
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone
CID 120817727
(4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride
CID 120818837
2-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]isoindole-1,3-dione
CID 120820348
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one
CID 120814120
methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate
CID 115269783
1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine
CID 115276642

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-cyclohexylsulfonyl-3-methylbutan-1-one?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-cyclohexylsulfonyl-3-methylbutan-1-one (CID 120816612) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-cyclohexylsulfonyl-3-methylbutan-1-one.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-cyclohexylsulfonyl-3-methylbutan-1-one?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-cyclohexylsulfonyl-3-methylbutan-1-one is CC(C)C(C(=O)N1CCC(N)C(C)(C)C1)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-cyclohexylsulfonyl-3-methylbutan-1-one?
The InChIKey is USEVUBQNRXBZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3S/c1-13(2)16(24(22,23)14-8-6-5-7-9-14)17(21)20-11-10-15(19)18(3,4)12-20/h13-16H,5-12,19H2,1-4H3.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-cyclohexylsulfonyl-3-methylbutan-1-one?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-cyclohexylsulfonyl-3-methylbutan-1-one has a molecular weight of 358.55 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-cyclohexylsulfonyl-3-methylbutan-1-one is sourced from PubChem (CID 120816612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).