N-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine

C12H25NO2S — CID 62708047

IUPACN-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(NCCS(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO2S/c1-10(2)11-4-6-12(7-5-11)13-8-9-16(3,14)15/h10-13H,4-9H2,1-3H3
InChIKeyBGUNIADVMGUNHC-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.84
Rot. Bonds5

About N-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine

N-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 62708047) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID62708047
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(NCCS(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO2S/c1-10(2)11-4-6-12(7-5-11)13-8-9-16(3,14)15/h10-13H,4-9H2,1-3H3
InChIKeyBGUNIADVMGUNHC-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine (CID 62708047) is N-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(NCCS(C)(=O)=O)CC1.
What is the InChIKey of N-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is BGUNIADVMGUNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-10(2)11-4-6-12(7-5-11)13-8-9-16(3,14)15/h10-13H,4-9H2,1-3H3.
What are the key properties of N-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine?
N-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62708047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).