N-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine

C12H25NO2S — CID 106512958

IUPACN-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine
SMILESCC(C)CS(=O)(=O)CCNC1CCCCC1
InChIInChI=1S/C12H25NO2S/c1-11(2)10-16(14,15)9-8-13-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3
InChIKeyKARJCEOQLQOQDC-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds6

About N-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine

N-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine (PubChem CID 106512958) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine
PubChem CID106512958
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine
SMILESCC(C)CS(=O)(=O)CCNC1CCCCC1
InChIInChI=1S/C12H25NO2S/c1-11(2)10-16(14,15)9-8-13-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3
InChIKeyKARJCEOQLQOQDC-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[2-(cycloheptylamino)ethyl]-2-methylpropane-1-sulfonamide
CID 115306563
2-[2-(cyclopentylamino)ethylsulfonyl]-N-propan-2-ylacetamide
CID 114232564
N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine
CID 107757330
N-(2-propan-2-ylsulfonylethyl)cyclobutanamine
CID 106723621
2-(cyclooctylamino)ethanesulfonate
CID 153294230
N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine
CID 64645030
N-(2-tert-butylsulfonylethyl)cyclopentanamine
CID 115625751
2-[2-(cyclopentylamino)ethylsulfonyl]-N,N-dimethylacetamide
CID 114232592
N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103780918
2-(cyclohexylamino)-N-octylethanesulfonamide
CID 45480035
N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine
CID 106513640
N-propylcyclohexanamine;sulfuric acid
CID 22994805

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine (CID 106512958) is N-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine is CC(C)CS(=O)(=O)CCNC1CCCCC1.
What is the InChIKey of N-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine?
The InChIKey is KARJCEOQLQOQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-11(2)10-16(14,15)9-8-13-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine?
N-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine is sourced from PubChem (CID 106512958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).