2-benzylsulfonyl-N-methylcyclohexan-1-amine

C14H21NO2S — CID 64644766

IUPAC2-benzylsulfonyl-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-15-13-9-5-6-10-14(13)18(16,17)11-12-7-3-2-4-8-12/h2-4,7-8,13-15H,5-6,9-11H2,1H3
InChIKeyCSNFANRXQTXELL-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.13
Rot. Bonds4

About 2-benzylsulfonyl-N-methylcyclohexan-1-amine

2-benzylsulfonyl-N-methylcyclohexan-1-amine (PubChem CID 64644766) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-benzylsulfonyl-N-methylcyclohexan-1-amine
PubChem CID64644766
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-benzylsulfonyl-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-15-13-9-5-6-10-14(13)18(16,17)11-12-7-3-2-4-8-12/h2-4,7-8,13-15H,5-6,9-11H2,1H3
InChIKeyCSNFANRXQTXELL-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylsulfonyl]-N-methylcyclopentan-1-amine
CID 114792023
cis-(1R,2S)-2-benzylsulfonylcyclohexan-1-ol
CID 6922943
2-(benzenesulfonyl)-N-methylcyclooctan-1-amine
CID 62917384
2-N-benzyl-1-N-methylcyclohexane-1,2-diamine
CID 149139761
2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine
CID 79581110
2-[(4-chlorophenyl)methylsulfonyl]-N-ethylcycloheptan-1-amine
CID 114792007
N-methyl-2-propylsulfonylcyclooctan-1-amine
CID 64644517
2-(2-methoxyethylsulfonyl)-N-methylcyclododecan-1-amine
CID 64644745
2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64638401
N-methyl-2-(2-methylpropylsulfonyl)cyclododecan-1-amine
CID 64646822
2-(2-bromophenyl)sulfonyl-N-methylcyclooctan-1-amine
CID 64647628
2-(2-fluorophenyl)sulfonyl-N-methylcycloheptan-1-amine
CID 64645152

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-methylcyclohexan-1-amine?
The IUPAC name of 2-benzylsulfonyl-N-methylcyclohexan-1-amine (CID 64644766) is 2-benzylsulfonyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-benzylsulfonyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-benzylsulfonyl-N-methylcyclohexan-1-amine is CNC1CCCCC1S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-benzylsulfonyl-N-methylcyclohexan-1-amine?
The InChIKey is CSNFANRXQTXELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-15-13-9-5-6-10-14(13)18(16,17)11-12-7-3-2-4-8-12/h2-4,7-8,13-15H,5-6,9-11H2,1H3.
What are the key properties of 2-benzylsulfonyl-N-methylcyclohexan-1-amine?
2-benzylsulfonyl-N-methylcyclohexan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 64644766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).