N-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]methanesulfonamide

C16H28N2O2S — CID 50973206

IUPACN-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]methanesulfonamide
SMILESC=C(C)[C@@H]1CC=C(CN2CCC(NS(C)(=O)=O)CC2)CC1
InChIInChI=1S/C16H28N2O2S/c1-13(2)15-6-4-14(5-7-15)12-18-10-8-16(9-11-18)17-21(3,19)20/h4,15-17H,1,5-12H2,2-3H3/t15-/m1/s1
InChIKeyTYINLNAPSXTSJK-OAHLLOKOSA-N
MW312.48 g/mol
LogP2.30
Rot. Bonds5

About N-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]methanesulfonamide

N-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]methanesulfonamide (PubChem CID 50973206) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]methanesulfonamide
PubChem CID50973206
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]methanesulfonamide
SMILESC=C(C)[C@@H]1CC=C(CN2CCC(NS(C)(=O)=O)CC2)CC1
InChIInChI=1S/C16H28N2O2S/c1-13(2)15-6-4-14(5-7-15)12-18-10-8-16(9-11-18)17-21(3,19)20/h4,15-17H,1,5-12H2,2-3H3/t15-/m1/s1
InChIKeyTYINLNAPSXTSJK-OAHLLOKOSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]methanesulfonamide with MolForge

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Related Compounds

N-(2-cyclobut-2-en-1-yl-1-piperidin-4-ylpiperidin-4-yl)-N-methylmethanesulfonamide
CID 139546864
N-(cyclohex-3-en-1-ylmethyl)-1-ethylsulfonylpiperidin-4-amine
CID 43208072
N-(cyclohex-3-en-1-ylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 43432044
N-(cyclohex-3-en-1-ylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43747930
N-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]methanesulfonamide
CID 70786659
N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]propane-2-sulfonamide
CID 75420188
1-cyclohex-3-en-1-yl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]methanamine
CID 79609469
N-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohex-3-en-1-amine
CID 79611477
2-(cyclohexen-1-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 79613101
N-tert-butyl-4-methyl-5-(1-methylsulfonylpiperidin-3-yl)pent-3-en-1-amine
CID 79620422
4-methyl-N-(2-methylpropyl)-5-(1-methylsulfonylpiperidin-3-yl)pent-3-en-1-amine
CID 79620423
4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-N-propan-2-ylpent-3-en-1-amine
CID 79621903

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]methanesulfonamide (CID 50973206) is N-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]methanesulfonamide is C=C(C)[C@@H]1CC=C(CN2CCC(NS(C)(=O)=O)CC2)CC1.
What is the InChIKey of N-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is TYINLNAPSXTSJK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-13(2)15-6-4-14(5-7-15)12-18-10-8-16(9-11-18)17-21(3,19)20/h4,15-17H,1,5-12H2,2-3H3/t15-/m1/s1.
What are the key properties of N-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]methanesulfonamide?
N-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 50973206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).