N-[(4-aminocyclohexylidene)methyl]-2-methylpropane-2-sulfonamide

C11H22N2O2S — CID 123148592

IUPACN-[(4-aminocyclohexylidene)methyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC=C1CCC(N)CC1
InChIInChI=1S/C11H22N2O2S/c1-11(2,3)16(14,15)13-8-9-4-6-10(12)7-5-9/h8,10,13H,4-7,12H2,1-3H3/b9-8-
InChIKeyUNAIXZQELLATBE-HJWRWDBZSA-N
MW246.38 g/mol
LogP1.49
Rot. Bonds2

About N-[(4-aminocyclohexylidene)methyl]-2-methylpropane-2-sulfonamide

N-[(4-aminocyclohexylidene)methyl]-2-methylpropane-2-sulfonamide (PubChem CID 123148592) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(4-aminocyclohexylidene)methyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexylidene)methyl]-2-methylpropane-2-sulfonamide
PubChem CID123148592
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-[(4-aminocyclohexylidene)methyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC=C1CCC(N)CC1
InChIInChI=1S/C11H22N2O2S/c1-11(2,3)16(14,15)13-8-9-4-6-10(12)7-5-9/h8,10,13H,4-7,12H2,1-3H3/b9-8-
InChIKeyUNAIXZQELLATBE-HJWRWDBZSA-N
XLogP1.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexylidene)methyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(4-aminocyclohexylidene)methyl]-2-methylpropane-2-sulfonamide (CID 123148592) is N-[(4-aminocyclohexylidene)methyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(4-aminocyclohexylidene)methyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(4-aminocyclohexylidene)methyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC=C1CCC(N)CC1.
What is the InChIKey of N-[(4-aminocyclohexylidene)methyl]-2-methylpropane-2-sulfonamide?
The InChIKey is UNAIXZQELLATBE-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-11(2,3)16(14,15)13-8-9-4-6-10(12)7-5-9/h8,10,13H,4-7,12H2,1-3H3/b9-8-.
What are the key properties of N-[(4-aminocyclohexylidene)methyl]-2-methylpropane-2-sulfonamide?
N-[(4-aminocyclohexylidene)methyl]-2-methylpropane-2-sulfonamide has a molecular weight of 246.38 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexylidene)methyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 123148592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).