N-[2-(4-amino-3-methylcyclohexyl)-2-methylpropyl]methanesulfonamide

C12H26N2O2S — CID 18713996

IUPACN-[2-(4-amino-3-methylcyclohexyl)-2-methylpropyl]methanesulfonamide
SMILESCC1CC(C(C)(C)CNS(C)(=O)=O)CCC1N
InChIInChI=1S/C12H26N2O2S/c1-9-7-10(5-6-11(9)13)12(2,3)8-14-17(4,15)16/h9-11,14H,5-8,13H2,1-4H3
InChIKeyHVVYWYPNZUGVFM-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.33
Rot. Bonds4

About N-[2-(4-amino-3-methylcyclohexyl)-2-methylpropyl]methanesulfonamide

N-[2-(4-amino-3-methylcyclohexyl)-2-methylpropyl]methanesulfonamide (PubChem CID 18713996) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[2-(4-amino-3-methylcyclohexyl)-2-methylpropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-amino-3-methylcyclohexyl)-2-methylpropyl]methanesulfonamide
PubChem CID18713996
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[2-(4-amino-3-methylcyclohexyl)-2-methylpropyl]methanesulfonamide
SMILESCC1CC(C(C)(C)CNS(C)(=O)=O)CCC1N
InChIInChI=1S/C12H26N2O2S/c1-9-7-10(5-6-11(9)13)12(2,3)8-14-17(4,15)16/h9-11,14H,5-8,13H2,1-4H3
InChIKeyHVVYWYPNZUGVFM-UHFFFAOYSA-N
XLogP1.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-3-methylcyclohexyl)-2-methylpropyl]methanesulfonamide?
The IUPAC name of N-[2-(4-amino-3-methylcyclohexyl)-2-methylpropyl]methanesulfonamide (CID 18713996) is N-[2-(4-amino-3-methylcyclohexyl)-2-methylpropyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-amino-3-methylcyclohexyl)-2-methylpropyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-amino-3-methylcyclohexyl)-2-methylpropyl]methanesulfonamide is CC1CC(C(C)(C)CNS(C)(=O)=O)CCC1N.
What is the InChIKey of N-[2-(4-amino-3-methylcyclohexyl)-2-methylpropyl]methanesulfonamide?
The InChIKey is HVVYWYPNZUGVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-9-7-10(5-6-11(9)13)12(2,3)8-14-17(4,15)16/h9-11,14H,5-8,13H2,1-4H3.
What are the key properties of N-[2-(4-amino-3-methylcyclohexyl)-2-methylpropyl]methanesulfonamide?
N-[2-(4-amino-3-methylcyclohexyl)-2-methylpropyl]methanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-3-methylcyclohexyl)-2-methylpropyl]methanesulfonamide is sourced from PubChem (CID 18713996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).