4-tert-butyl-N-methyl-2-methylsulfonylcyclohexan-1-amine

C12H25NO2S — CID 62785320

IUPAC4-tert-butyl-N-methyl-2-methylsulfonylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1S(C)(=O)=O
InChIInChI=1S/C12H25NO2S/c1-12(2,3)9-6-7-10(13-4)11(8-9)16(5,14)15/h9-11,13H,6-8H2,1-5H3
InChIKeyMPRSRCAJQQZCPC-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.83
Rot. Bonds2

About 4-tert-butyl-N-methyl-2-methylsulfonylcyclohexan-1-amine

4-tert-butyl-N-methyl-2-methylsulfonylcyclohexan-1-amine (PubChem CID 62785320) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-2-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-2-methylsulfonylcyclohexan-1-amine
PubChem CID62785320
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name4-tert-butyl-N-methyl-2-methylsulfonylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1S(C)(=O)=O
InChIInChI=1S/C12H25NO2S/c1-12(2,3)9-6-7-10(13-4)11(8-9)16(5,14)15/h9-11,13H,6-8H2,1-5H3
InChIKeyMPRSRCAJQQZCPC-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-2-methylsulfonylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-methyl-2-methylsulfonylcyclohexan-1-amine (CID 62785320) is 4-tert-butyl-N-methyl-2-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-2-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-2-methylsulfonylcyclohexan-1-amine is CNC1CCC(C(C)(C)C)CC1S(C)(=O)=O.
What is the InChIKey of 4-tert-butyl-N-methyl-2-methylsulfonylcyclohexan-1-amine?
The InChIKey is MPRSRCAJQQZCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-12(2,3)9-6-7-10(13-4)11(8-9)16(5,14)15/h9-11,13H,6-8H2,1-5H3.
What are the key properties of 4-tert-butyl-N-methyl-2-methylsulfonylcyclohexan-1-amine?
4-tert-butyl-N-methyl-2-methylsulfonylcyclohexan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-2-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 62785320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).