5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine

C9H21NO4S2 — CID 115646738

IUPAC5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine
SMILESCCS(=O)(=O)CCCC(CS(C)(=O)=O)NC
InChIInChI=1S/C9H21NO4S2/c1-4-16(13,14)7-5-6-9(10-2)8-15(3,11)12/h9-10H,4-8H2,1-3H3
InChIKeyFOYQSTVOAWCZHV-UHFFFAOYSA-N
MW271.40 g/mol
LogP-0.17
Rot. Bonds8

About 5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine

5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine (PubChem CID 115646738) has the molecular formula C9H21NO4S2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine
PubChem CID115646738
Molecular FormulaC9H21NO4S2
Molecular Weight271.40 g/mol
Exact Mass271.09
IUPAC Name5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine
SMILESCCS(=O)(=O)CCCC(CS(C)(=O)=O)NC
InChIInChI=1S/C9H21NO4S2/c1-4-16(13,14)7-5-6-9(10-2)8-15(3,11)12/h9-10H,4-8H2,1-3H3
InChIKeyFOYQSTVOAWCZHV-UHFFFAOYSA-N
XLogP-0.17
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine 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-methyl-1-methylsulfonyldodecan-2-amine
CID 55093567
5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine
CID 115646739
N-methyl-6-pentylsulfonylhexan-3-amine
CID 107758584
5-ethylsulfonyl-N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 103215423
N-methyl-1-methylsulfonylheptan-3-amine
CID 79405764
1-ethylsulfonyl-N,5,6-trimethylheptan-4-amine
CID 115865308
5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine
CID 65095558
1-ethoxy-N-methyl-6-methylsulfonylhexan-3-amine
CID 105113116
6-(3-methoxypropylsulfonyl)-N-methylhexan-3-amine
CID 106807839
N-ethyl-1-ethylsulfonyldecan-4-amine
CID 115865211
1-methylsulfonylhexan-2-ylhydrazine
CID 105293864
5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine
CID 65095703

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine?
The IUPAC name of 5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine (CID 115646738) is 5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine?
The canonical SMILES for 5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine is CCS(=O)(=O)CCCC(CS(C)(=O)=O)NC.
What is the InChIKey of 5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine?
The InChIKey is FOYQSTVOAWCZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S2/c1-4-16(13,14)7-5-6-9(10-2)8-15(3,11)12/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine?
5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine has a molecular weight of 271.40 g/mol, XLogP of -0.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine is sourced from PubChem (CID 115646738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).