N-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide

C9H22N2O4S2 — CID 64630784

IUPACN-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide
SMILESCC(CS(C)(=O)=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C9H22N2O4S2/c1-8(6-16(4,12)13)10-7-9(2,3)11-17(5,14)15/h8,10-11H,6-7H2,1-5H3
InChIKeyUETBJQXAJLOXDH-UHFFFAOYSA-N
MW286.42 g/mol
LogP-0.66
Rot. Bonds7

About N-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide

N-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide (PubChem CID 64630784) has the molecular formula C9H22N2O4S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide
PubChem CID64630784
Molecular FormulaC9H22N2O4S2
Molecular Weight286.42 g/mol
Exact Mass286.10
IUPAC NameN-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide
SMILESCC(CS(C)(=O)=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C9H22N2O4S2/c1-8(6-16(4,12)13)10-7-9(2,3)11-17(5,14)15/h8,10-11H,6-7H2,1-5H3
InChIKeyUETBJQXAJLOXDH-UHFFFAOYSA-N
XLogP-0.66
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-methyl-1-(nonan-2-ylamino)propan-2-yl]methanesulfonamide
CID 63858933
2,2,4-trimethyl-N-(1-methylsulfonylpropan-2-yl)pentan-1-amine
CID 115901432
N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide
CID 63902709
3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid
CID 79397099
2,3-dimethyl-1-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
CID 115901030
N-[2-methyl-1-(5-methylheptan-3-ylamino)propan-2-yl]methanesulfonamide
CID 63858604
N-[1-[1-(4-methoxyphenyl)propan-2-ylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859125
N'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide
CID 77029950
N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine
CID 107445725
N-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide
CID 83156501
2-ethyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine
CID 115901167
N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide
CID 63859656

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide (CID 64630784) is N-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide is CC(CS(C)(=O)=O)NCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide?
The InChIKey is UETBJQXAJLOXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O4S2/c1-8(6-16(4,12)13)10-7-9(2,3)11-17(5,14)15/h8,10-11H,6-7H2,1-5H3.
What are the key properties of N-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide?
N-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide has a molecular weight of 286.42 g/mol, XLogP of -0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 64630784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).