N-(1-amino-2-methylbutan-2-yl)-1-cyclohexylmethanesulfonamide

C12H26N2O2S — CID 54947415

IUPACN-(1-amino-2-methylbutan-2-yl)-1-cyclohexylmethanesulfonamide
SMILESCCC(C)(CN)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H26N2O2S/c1-3-12(2,10-13)14-17(15,16)9-11-7-5-4-6-8-11/h11,14H,3-10,13H2,1-2H3
InChIKeyFAVZWAGFFLDRLU-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.61
Rot. Bonds6

About N-(1-amino-2-methylbutan-2-yl)-1-cyclohexylmethanesulfonamide

N-(1-amino-2-methylbutan-2-yl)-1-cyclohexylmethanesulfonamide (PubChem CID 54947415) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-1-cyclohexylmethanesulfonamide
PubChem CID54947415
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-1-cyclohexylmethanesulfonamide
SMILESCCC(C)(CN)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H26N2O2S/c1-3-12(2,10-13)14-17(15,16)9-11-7-5-4-6-8-11/h11,14H,3-10,13H2,1-2H3
InChIKeyFAVZWAGFFLDRLU-UHFFFAOYSA-N
XLogP1.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-1-cyclohexylmethanesulfonamide (CID 54947415) is N-(1-amino-2-methylbutan-2-yl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-1-cyclohexylmethanesulfonamide is CCC(C)(CN)NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-1-cyclohexylmethanesulfonamide?
The InChIKey is FAVZWAGFFLDRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-3-12(2,10-13)14-17(15,16)9-11-7-5-4-6-8-11/h11,14H,3-10,13H2,1-2H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-1-cyclohexylmethanesulfonamide?
N-(1-amino-2-methylbutan-2-yl)-1-cyclohexylmethanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 54947415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).