(3R)-1-cyclopent-3-en-1-yl-4-(4-methylsulfonylcyclohexyl)piperidin-3-amine

C17H30N2O2S — CID 152914093

IUPAC(3R)-1-cyclopent-3-en-1-yl-4-(4-methylsulfonylcyclohexyl)piperidin-3-amine
SMILESCS(=O)(=O)C1CCC(C2CCN(C3CC=CC3)C[C@@H]2N)CC1
InChIInChI=1S/C17H30N2O2S/c1-22(20,21)15-8-6-13(7-9-15)16-10-11-19(12-17(16)18)14-4-2-3-5-14/h2-3,13-17H,4-12,18H2,1H3/t13?,15?,16?,17-/m0/s1
InChIKeySNJREGDFJMKZIM-MYGHFWBESA-N
MW326.51 g/mol
LogP1.96
Rot. Bonds3

About (3R)-1-cyclopent-3-en-1-yl-4-(4-methylsulfonylcyclohexyl)piperidin-3-amine

(3R)-1-cyclopent-3-en-1-yl-4-(4-methylsulfonylcyclohexyl)piperidin-3-amine (PubChem CID 152914093) has the molecular formula C17H30N2O2S and a molecular weight of 326.51 g/mol. Its IUPAC name is (3R)-1-cyclopent-3-en-1-yl-4-(4-methylsulfonylcyclohexyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-cyclopent-3-en-1-yl-4-(4-methylsulfonylcyclohexyl)piperidin-3-amine
PubChem CID152914093
Molecular FormulaC17H30N2O2S
Molecular Weight326.51 g/mol
Exact Mass326.20
IUPAC Name(3R)-1-cyclopent-3-en-1-yl-4-(4-methylsulfonylcyclohexyl)piperidin-3-amine
SMILESCS(=O)(=O)C1CCC(C2CCN(C3CC=CC3)C[C@@H]2N)CC1
InChIInChI=1S/C17H30N2O2S/c1-22(20,21)15-8-6-13(7-9-15)16-10-11-19(12-17(16)18)14-4-2-3-5-14/h2-3,13-17H,4-12,18H2,1H3/t13?,15?,16?,17-/m0/s1
InChIKeySNJREGDFJMKZIM-MYGHFWBESA-N
XLogP1.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Cyclopent-2-en-1-yl-4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine
CID 156281018
2-(4-methylsulfonylcyclohexyl)-6-[(E)-2-(thiolan-2-yl)ethenyl]piperazine
CID 166020113
2-(4-methylsulfonylcyclohexyl)-6-[(Z)-2-(thiolan-2-yl)ethenyl]piperidine
CID 166020141
2-(4-methylsulfonylcyclohexyl)-6-[(Z)-2-(thiolan-2-yl)ethenyl]piperazine
CID 166020174
3-(5-Cyclohexyl-2-methylpiperazin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 65722817
3-(3-Cyclohexylpiperazin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 65723988
3-(5-Cyclohexyl-2-ethylpiperazin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 65724775
3-(3-Propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 65725364

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopent-3-en-1-yl-4-(4-methylsulfonylcyclohexyl)piperidin-3-amine?
The IUPAC name of (3R)-1-cyclopent-3-en-1-yl-4-(4-methylsulfonylcyclohexyl)piperidin-3-amine (CID 152914093) is (3R)-1-cyclopent-3-en-1-yl-4-(4-methylsulfonylcyclohexyl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-cyclopent-3-en-1-yl-4-(4-methylsulfonylcyclohexyl)piperidin-3-amine?
The canonical SMILES for (3R)-1-cyclopent-3-en-1-yl-4-(4-methylsulfonylcyclohexyl)piperidin-3-amine is CS(=O)(=O)C1CCC(C2CCN(C3CC=CC3)C[C@@H]2N)CC1.
What is the InChIKey of (3R)-1-cyclopent-3-en-1-yl-4-(4-methylsulfonylcyclohexyl)piperidin-3-amine?
The InChIKey is SNJREGDFJMKZIM-MYGHFWBESA-N. The full InChI is InChI=1S/C17H30N2O2S/c1-22(20,21)15-8-6-13(7-9-15)16-10-11-19(12-17(16)18)14-4-2-3-5-14/h2-3,13-17H,4-12,18H2,1H3/t13?,15?,16?,17-/m0/s1.
What are the key properties of (3R)-1-cyclopent-3-en-1-yl-4-(4-methylsulfonylcyclohexyl)piperidin-3-amine?
(3R)-1-cyclopent-3-en-1-yl-4-(4-methylsulfonylcyclohexyl)piperidin-3-amine has a molecular weight of 326.51 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopent-3-en-1-yl-4-(4-methylsulfonylcyclohexyl)piperidin-3-amine is sourced from PubChem (CID 152914093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).