2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine

C10H23NO2S2 — CID 106723768

IUPAC2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine
SMILESCCCS(=O)(=O)CCNCC(C)CSC
InChIInChI=1S/C10H23NO2S2/c1-4-6-15(12,13)7-5-11-8-10(2)9-14-3/h10-11H,4-9H2,1-3H3
InChIKeyGVJNXSYKMKLLSL-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.40
Rot. Bonds9

About 2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine

2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine (PubChem CID 106723768) has the molecular formula C10H23NO2S2 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine
PubChem CID106723768
Molecular FormulaC10H23NO2S2
Molecular Weight253.43 g/mol
Exact Mass253.12
IUPAC Name2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine
SMILESCCCS(=O)(=O)CCNCC(C)CSC
InChIInChI=1S/C10H23NO2S2/c1-4-6-15(12,13)7-5-11-8-10(2)9-14-3/h10-11H,4-9H2,1-3H3
InChIKeyGVJNXSYKMKLLSL-UHFFFAOYSA-N
XLogP1.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-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

2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 63981278
2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine
CID 106723762
N-(2-methyl-3-methylsulfanylpropyl)nonan-1-amine
CID 63964508
N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine
CID 63964733
6-methylsulfanyl-N-(2-propylsulfonylethyl)hexan-1-amine
CID 114125695
N-(2-methylpropyl)-5-propylsulfonylpentan-1-amine
CID 106732243
N-(2-chloroethyl)-2-propylsulfonylethanamine
CID 106730959
N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide
CID 63967363
5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine
CID 65097226
3-methoxy-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine
CID 103033354
2-(2-methylpentylamino)ethanesulfonamide
CID 43551734
1-propylsulfonylpropane
CID 11709

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine (CID 106723768) is 2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine is CCCS(=O)(=O)CCNCC(C)CSC.
What is the InChIKey of 2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine?
The InChIKey is GVJNXSYKMKLLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S2/c1-4-6-15(12,13)7-5-11-8-10(2)9-14-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine?
2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine is sourced from PubChem (CID 106723768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).