N-[[5-(methanesulfonamido)-1,3,3-trimethylcyclohexyl]methyl]methanesulfonamide

C12H26N2O4S2 — CID 3560712

IUPACN-[[5-(methanesulfonamido)-1,3,3-trimethylcyclohexyl]methyl]methanesulfonamide
SMILESCC1(C)CC(NS(C)(=O)=O)CC(C)(CNS(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O4S2/c1-11(2)6-10(14-20(5,17)18)7-12(3,8-11)9-13-19(4,15)16/h10,13-14H,6-9H2,1-5H3
InChIKeyJKFCBAWKYRTPTA-UHFFFAOYSA-N
MW326.48 g/mol
LogP0.67
Rot. Bonds5

About N-[[5-(methanesulfonamido)-1,3,3-trimethylcyclohexyl]methyl]methanesulfonamide

N-[[5-(methanesulfonamido)-1,3,3-trimethylcyclohexyl]methyl]methanesulfonamide (PubChem CID 3560712) has the molecular formula C12H26N2O4S2 and a molecular weight of 326.48 g/mol. Its IUPAC name is N-[[5-(methanesulfonamido)-1,3,3-trimethylcyclohexyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-(methanesulfonamido)-1,3,3-trimethylcyclohexyl]methyl]methanesulfonamide
PubChem CID3560712
Molecular FormulaC12H26N2O4S2
Molecular Weight326.48 g/mol
Exact Mass326.13
IUPAC NameN-[[5-(methanesulfonamido)-1,3,3-trimethylcyclohexyl]methyl]methanesulfonamide
SMILESCC1(C)CC(NS(C)(=O)=O)CC(C)(CNS(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O4S2/c1-11(2)6-10(14-20(5,17)18)7-12(3,8-11)9-13-19(4,15)16/h10,13-14H,6-9H2,1-5H3
InChIKeyJKFCBAWKYRTPTA-UHFFFAOYSA-N
XLogP0.67
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(methanesulfonamido)-1,3,3-trimethylcyclohexyl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-(methanesulfonamido)-1,3,3-trimethylcyclohexyl]methyl]methanesulfonamide (CID 3560712) is N-[[5-(methanesulfonamido)-1,3,3-trimethylcyclohexyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-(methanesulfonamido)-1,3,3-trimethylcyclohexyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-(methanesulfonamido)-1,3,3-trimethylcyclohexyl]methyl]methanesulfonamide is CC1(C)CC(NS(C)(=O)=O)CC(C)(CNS(C)(=O)=O)C1.
What is the InChIKey of N-[[5-(methanesulfonamido)-1,3,3-trimethylcyclohexyl]methyl]methanesulfonamide?
The InChIKey is JKFCBAWKYRTPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S2/c1-11(2)6-10(14-20(5,17)18)7-12(3,8-11)9-13-19(4,15)16/h10,13-14H,6-9H2,1-5H3.
What are the key properties of N-[[5-(methanesulfonamido)-1,3,3-trimethylcyclohexyl]methyl]methanesulfonamide?
N-[[5-(methanesulfonamido)-1,3,3-trimethylcyclohexyl]methyl]methanesulfonamide has a molecular weight of 326.48 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methanesulfonamido)-1,3,3-trimethylcyclohexyl]methyl]methanesulfonamide is sourced from PubChem (CID 3560712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).