1-(2-tert-butylsulfonylethyl)cyclohexan-1-amine

C12H25NO2S — CID 106733843

IUPAC1-(2-tert-butylsulfonylethyl)cyclohexan-1-amine
SMILESCC(C)(C)S(=O)(=O)CCC1(N)CCCCC1
InChIInChI=1S/C12H25NO2S/c1-11(2,3)16(14,15)10-9-12(13)7-5-4-6-8-12/h4-10,13H2,1-3H3
InChIKeyQWULPXKVBXJXST-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.25
Rot. Bonds3

About 1-(2-tert-butylsulfonylethyl)cyclohexan-1-amine

1-(2-tert-butylsulfonylethyl)cyclohexan-1-amine (PubChem CID 106733843) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)cyclohexan-1-amine
PubChem CID106733843
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-(2-tert-butylsulfonylethyl)cyclohexan-1-amine
SMILESCC(C)(C)S(=O)(=O)CCC1(N)CCCCC1
InChIInChI=1S/C12H25NO2S/c1-11(2,3)16(14,15)10-9-12(13)7-5-4-6-8-12/h4-10,13H2,1-3H3
InChIKeyQWULPXKVBXJXST-UHFFFAOYSA-N
XLogP2.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine
CID 106734177
1-(3-methylsulfonylpropyl)cyclohexan-1-amine
CID 63192064
[2-(2-tert-butylsulfonylethyl)thiolan-2-yl]methanamine
CID 106734087
N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine
CID 106729852
1-(tert-butylsulfonylmethyl)cyclopropan-1-amine
CID 84772132
1-(3,3-dimethylbutyl)cycloheptan-1-amine
CID 62622521
N-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide
CID 63689180
N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
CID 106729855
1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine
CID 79858912
1-(1-bromoethyl)-1-(2-tert-butylsulfonylethyl)cyclopropane
CID 106798674
4,4-dimethyl-1-(2-methylsulfonylethyl)cycloheptan-1-amine
CID 65083929
3-(2-tert-butylsulfonylethyl)-3-methyloxetane
CID 160692118

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)cyclohexan-1-amine?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)cyclohexan-1-amine (CID 106733843) is 1-(2-tert-butylsulfonylethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)cyclohexan-1-amine is CC(C)(C)S(=O)(=O)CCC1(N)CCCCC1.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)cyclohexan-1-amine?
The InChIKey is QWULPXKVBXJXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-11(2,3)16(14,15)10-9-12(13)7-5-4-6-8-12/h4-10,13H2,1-3H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)cyclohexan-1-amine?
1-(2-tert-butylsulfonylethyl)cyclohexan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)cyclohexan-1-amine is sourced from PubChem (CID 106733843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).