N-benzhydryl-4-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine

C24H33N3O2S — CID 141139435

IUPACN-benzhydryl-4-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
SMILESCS(=O)(=O)N1CCN(C2CCC(NC(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C24H33N3O2S/c1-30(28,29)27-18-16-26(17-19-27)23-14-12-22(13-15-23)25-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,22-25H,12-19H2,1H3
InChIKeyZZOUKKHGPPQIND-UHFFFAOYSA-N
MW427.61 g/mol
LogP3.25
Rot. Bonds6

About N-benzhydryl-4-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine

N-benzhydryl-4-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine (PubChem CID 141139435) has the molecular formula C24H33N3O2S and a molecular weight of 427.61 g/mol. Its IUPAC name is N-benzhydryl-4-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-benzhydryl-4-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
PubChem CID141139435
Molecular FormulaC24H33N3O2S
Molecular Weight427.61 g/mol
Exact Mass427.23
IUPAC NameN-benzhydryl-4-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
SMILESCS(=O)(=O)N1CCN(C2CCC(NC(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C24H33N3O2S/c1-30(28,29)27-18-16-26(17-19-27)23-14-12-22(13-15-23)25-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,22-25H,12-19H2,1H3
InChIKeyZZOUKKHGPPQIND-UHFFFAOYSA-N
XLogP3.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine
CID 21183788
N-benzhydryl-4-methylcyclohexan-1-amine
CID 43079012
N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride
CID 134094585
2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol
CID 62992614
N-benzhydryl-1-ethylpiperidin-4-amine
CID 3821522
1-methylsulfonyl-N-(2-phenylpropyl)piperidin-4-amine
CID 43432051
4-(4-methylsulfonylpiperazin-1-yl)piperidine-1-carboxylic acid
CID 71147624
(2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 104897197
(4S,5R)-5-methyl-1-methylsulfonyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 169045175
1-methylsulfonyl-N-[(2R)-1-phenylsulfanylbutan-2-yl]piperidin-4-amine
CID 97107832
1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine
CID 47454432
2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol
CID 81241270

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine?
The IUPAC name of N-benzhydryl-4-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine (CID 141139435) is N-benzhydryl-4-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N-benzhydryl-4-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine?
The canonical SMILES for N-benzhydryl-4-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine is CS(=O)(=O)N1CCN(C2CCC(NC(c3ccccc3)c3ccccc3)CC2)CC1.
What is the InChIKey of N-benzhydryl-4-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine?
The InChIKey is ZZOUKKHGPPQIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2S/c1-30(28,29)27-18-16-26(17-19-27)23-14-12-22(13-15-23)25-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,22-25H,12-19H2,1H3.
What are the key properties of N-benzhydryl-4-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine?
N-benzhydryl-4-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine has a molecular weight of 427.61 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 141139435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).