N-(cyclohex-3-en-1-ylmethyl)-1-propylsulfonylpiperidin-4-amine

C15H28N2O2S — CID 43747930

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NCC2CC=CCC2)CC1
InChIInChI=1S/C15H28N2O2S/c1-2-12-20(18,19)17-10-8-15(9-11-17)16-13-14-6-4-3-5-7-14/h3-4,14-16H,2,5-13H2,1H3
InChIKeyJTGTYLKHLQJEJT-UHFFFAOYSA-N
MW300.47 g/mol
LogP2.14
Rot. Bonds6

About N-(cyclohex-3-en-1-ylmethyl)-1-propylsulfonylpiperidin-4-amine

N-(cyclohex-3-en-1-ylmethyl)-1-propylsulfonylpiperidin-4-amine (PubChem CID 43747930) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-propylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-propylsulfonylpiperidin-4-amine
PubChem CID43747930
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NCC2CC=CCC2)CC1
InChIInChI=1S/C15H28N2O2S/c1-2-12-20(18,19)17-10-8-15(9-11-17)16-13-14-6-4-3-5-7-14/h3-4,14-16H,2,5-13H2,1H3
InChIKeyJTGTYLKHLQJEJT-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-Fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine
CID 143465958
N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethylsulfonyl)piperidin-4-amine
CID 75387534
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(trifluoromethylsulfonyl)piperidin-4-amine
CID 97240146
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(trifluoromethylsulfonyl)piperidin-4-amine
CID 97240147
N-(1-{[(4S)-4-isopropenylcyclohex-1-en-1-yl]methyl}piperidin-4-yl)methanesulfonamide
CID 50973206
2,4,5,6-Tetramethyl-6-piperidin-4-ylcyclohexa-2,4-diene-1-sulfonamide
CID 67590135
cis-(1S,2R)-2-cyclohexa-2,4-dien-1-yl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopropan-1-amine
CID 70810901
1,2,3,4,4a,8a-Hexahydroquinoline-8-sulfonamide
CID 91450875
2-Methyl-5-methylsulfonyl-3-prop-2-enylpiperidine
CID 123213929
N-(2-cyclobut-2-en-1-yl-1-piperidin-4-ylpiperidin-4-yl)-N-methylmethanesulfonamide
CID 139546864
1-(1-Methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine
CID 163216363
4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-disulfonamide
CID 164863467

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-propylsulfonylpiperidin-4-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-propylsulfonylpiperidin-4-amine (CID 43747930) is N-(cyclohex-3-en-1-ylmethyl)-1-propylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-propylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-propylsulfonylpiperidin-4-amine is CCCS(=O)(=O)N1CCC(NCC2CC=CCC2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-propylsulfonylpiperidin-4-amine?
The InChIKey is JTGTYLKHLQJEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-2-12-20(18,19)17-10-8-15(9-11-17)16-13-14-6-4-3-5-7-14/h3-4,14-16H,2,5-13H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-propylsulfonylpiperidin-4-amine?
N-(cyclohex-3-en-1-ylmethyl)-1-propylsulfonylpiperidin-4-amine has a molecular weight of 300.47 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-propylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43747930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).