N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine

C12H25NO2S — CID 64715674

IUPACN-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine
SMILESCCNC1CCCC(S(=O)(=O)CC(C)C)C1
InChIInChI=1S/C12H25NO2S/c1-4-13-11-6-5-7-12(8-11)16(14,15)9-10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyRPBDKGPEOWTKMK-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds5

About N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine

N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine (PubChem CID 64715674) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine
PubChem CID64715674
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine
SMILESCCNC1CCCC(S(=O)(=O)CC(C)C)C1
InChIInChI=1S/C12H25NO2S/c1-4-13-11-6-5-7-12(8-11)16(14,15)9-10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyRPBDKGPEOWTKMK-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64717552
3-[(4-chlorophenyl)methylsulfonyl]-N-ethylcyclohexan-1-amine
CID 114792094
2-methylpropylsulfonylcyclopropane
CID 58333627
3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine
CID 64717141
3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine
CID 64715675
trans-(1R,3R)-N-(2-ethylbutyl)-3-methylsulfonylcyclohexan-1-amine
CID 97096018
N-ethyl-3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
CID 79618505
N-ethyl-3-pentan-2-ylcyclohexan-1-amine
CID 107888160
1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine
CID 64676231
3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64717553
3-ethoxy-N-ethylcyclohexan-1-amine
CID 79619303
1-cyclohexylsulfonyl-3-(2-methylpropylsulfonyl)azetidine
CID 90594323

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine (CID 64715674) is N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine is CCNC1CCCC(S(=O)(=O)CC(C)C)C1.
What is the InChIKey of N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine?
The InChIKey is RPBDKGPEOWTKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-4-13-11-6-5-7-12(8-11)16(14,15)9-10(2)3/h10-13H,4-9H2,1-3H3.
What are the key properties of N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine?
N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine is sourced from PubChem (CID 64715674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).