1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide

C15H21N3O2S — CID 79117976

IUPAC1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide
SMILESCNC1CCC(NS(=O)(=O)Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H21N3O2S/c1-17-14-6-8-15(9-7-14)18-21(19,20)11-13-4-2-12(10-16)3-5-13/h2-5,14-15,17-18H,6-9,11H2,1H3
InChIKeyCWRARRRECBDPPF-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.51
Rot. Bonds5

About 1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide

1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide (PubChem CID 79117976) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide
PubChem CID79117976
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide
SMILESCNC1CCC(NS(=O)(=O)Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H21N3O2S/c1-17-14-6-8-15(9-7-14)18-21(19,20)11-13-4-2-12(10-16)3-5-13/h2-5,14-15,17-18H,6-9,11H2,1H3
InChIKeyCWRARRRECBDPPF-UHFFFAOYSA-N
XLogP1.51
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanophenyl)-N-(1,1-dioxothian-4-yl)methanesulfonamide
CID 43615313
3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031561
1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide
CID 62664800
N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide
CID 106441026
4-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]benzonitrile
CID 79122853
1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide
CID 29041609
1-(4-cyanophenyl)-N-(2-methoxyethoxy)methanesulfonamide
CID 82715836
1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107418691
N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
CID 63731343
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
CID 115307985
N-(2-amino-4-ethoxycyclobutyl)-1-(4-cyanophenyl)methanesulfonamide
CID 66197446
N-(4-hydroxycyclohexyl)-1-(4-nitrophenyl)methanesulfonamide
CID 43419374

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide (CID 79117976) is 1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide is CNC1CCC(NS(=O)(=O)Cc2ccc(C#N)cc2)CC1.
What is the InChIKey of 1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide?
The InChIKey is CWRARRRECBDPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-17-14-6-8-15(9-7-14)18-21(19,20)11-13-4-2-12(10-16)3-5-13/h2-5,14-15,17-18H,6-9,11H2,1H3.
What are the key properties of 1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide?
1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 79117976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).