N-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide

C15H24N2O2S — CID 43771846

IUPACN-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1CCCCC1c1ccccc1
InChIInChI=1S/C15H24N2O2S/c1-20(18,19)17-12-11-16-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-4,7-8,14-17H,5-6,9-12H2,1H3
InChIKeyPVJPGPNWBAFAND-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.85
Rot. Bonds6

About N-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide

N-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide (PubChem CID 43771846) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide
PubChem CID43771846
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1CCCCC1c1ccccc1
InChIInChI=1S/C15H24N2O2S/c1-20(18,19)17-12-11-16-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-4,7-8,14-17H,5-6,9-12H2,1H3
InChIKeyPVJPGPNWBAFAND-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Biphenyl-2-ylmethyl-N-(S)-pyrrolidin-3-yl-methanesulfonamide
CID 44578266
N-Biphenyl-2-ylmethyl-N-(R)-pyrrolidin-3-yl-methanesulfonamide
CID 44578272
N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide
CID 45479967
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-ethylmethanesulfonamide
CID 53321487
(R)-2-(2,5-difluorophenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)ethanamine
CID 53324155
Propane-2-sulfonic acid (trans-4-biphenyl-4-yl-1-ethyl-piperidin-3-yl)-amide
CID 52945565
N-((4-fluoro-1-(methylsulfonyl) piperidin-4-yl)methyl)-trans-2-phenylcyclopropylamine
CID 130453455
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-phenylethyl)acetamide
CID 1815821
2-(benzylamino)-N-cyclohexylethanesulfonamide
CID 45479973
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-(4,4,4-trifluorobutyl)methanesulfonamide
CID 53324293
US10300051, Example 4
CID 118290234
US10233152, Example 41
CID 129279605

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide (CID 43771846) is N-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNC1CCCCC1c1ccccc1.
What is the InChIKey of N-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide?
The InChIKey is PVJPGPNWBAFAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-20(18,19)17-12-11-16-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-4,7-8,14-17H,5-6,9-12H2,1H3.
What are the key properties of N-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide?
N-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 43771846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).