N-[2-[2-methylsulfonylethyl(propan-2-yl)amino]ethyl]methanesulfonamide

C9H22N2O4S2 — CID 121481161

IUPACN-[2-[2-methylsulfonylethyl(propan-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(C)N(CCNS(C)(=O)=O)CCS(C)(=O)=O
InChIInChI=1S/C9H22N2O4S2/c1-9(2)11(7-8-16(3,12)13)6-5-10-17(4,14)15/h9-10H,5-8H2,1-4H3
InChIKeySUACNMQRXNCOBJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP-0.71
Rot. Bonds8

About N-[2-[2-methylsulfonylethyl(propan-2-yl)amino]ethyl]methanesulfonamide

N-[2-[2-methylsulfonylethyl(propan-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 121481161) has the molecular formula C9H22N2O4S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[2-[2-methylsulfonylethyl(propan-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-methylsulfonylethyl(propan-2-yl)amino]ethyl]methanesulfonamide
PubChem CID121481161
Molecular FormulaC9H22N2O4S2
Molecular Weight286.42 g/mol
Exact Mass286.10
IUPAC NameN-[2-[2-methylsulfonylethyl(propan-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(C)N(CCNS(C)(=O)=O)CCS(C)(=O)=O
InChIInChI=1S/C9H22N2O4S2/c1-9(2)11(7-8-16(3,12)13)6-5-10-17(4,14)15/h9-10H,5-8H2,1-4H3
InChIKeySUACNMQRXNCOBJ-UHFFFAOYSA-N
XLogP-0.71
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[2-methylsulfonylethyl(propan-2-yl)amino]ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methylsulfonylethyl(propan-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-methylsulfonylethyl(propan-2-yl)amino]ethyl]methanesulfonamide (CID 121481161) is N-[2-[2-methylsulfonylethyl(propan-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-methylsulfonylethyl(propan-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-methylsulfonylethyl(propan-2-yl)amino]ethyl]methanesulfonamide is CC(C)N(CCNS(C)(=O)=O)CCS(C)(=O)=O.
What is the InChIKey of N-[2-[2-methylsulfonylethyl(propan-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is SUACNMQRXNCOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O4S2/c1-9(2)11(7-8-16(3,12)13)6-5-10-17(4,14)15/h9-10H,5-8H2,1-4H3.
What are the key properties of N-[2-[2-methylsulfonylethyl(propan-2-yl)amino]ethyl]methanesulfonamide?
N-[2-[2-methylsulfonylethyl(propan-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 286.42 g/mol, XLogP of -0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methylsulfonylethyl(propan-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 121481161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).