2-(methylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide

C7H18N2O2S2 — CID 63957677

IUPAC2-(methylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide
SMILESCNCCS(=O)(=O)NCCCSC
InChIInChI=1S/C7H18N2O2S2/c1-8-5-7-13(10,11)9-4-3-6-12-2/h8-9H,3-7H2,1-2H3
InChIKeyZYJKYJTUOKRYBX-UHFFFAOYSA-N
MW226.37 g/mol
LogP-0.12
Rot. Bonds8

About 2-(methylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide

2-(methylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide (PubChem CID 63957677) has the molecular formula C7H18N2O2S2 and a molecular weight of 226.37 g/mol. Its IUPAC name is 2-(methylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide
PubChem CID63957677
Molecular FormulaC7H18N2O2S2
Molecular Weight226.37 g/mol
Exact Mass226.08
IUPAC Name2-(methylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide
SMILESCNCCS(=O)(=O)NCCCSC
InChIInChI=1S/C7H18N2O2S2/c1-8-5-7-13(10,11)9-4-3-6-12-2/h8-9H,3-7H2,1-2H3
InChIKeyZYJKYJTUOKRYBX-UHFFFAOYSA-N
XLogP-0.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063521
2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide
CID 63957898
4-(3-methylsulfanylpropylsulfamoyl)butanoic acid
CID 63965509
N-(5-methylsulfanylpentyl)ethanesulfonamide
CID 104922242
N-(6-methylsulfanylhexyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090419
1-bromo-N-(5-methylsulfanylpentyl)methanesulfonamide
CID 104922278
4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063520
1-[4-(methylaminomethyl)phenyl]-N-(4-methylsulfanylbutyl)methanesulfonamide
CID 106078230
2-(methylamino)-N-(3,3,3-trifluoropropyl)ethanesulfonamide
CID 63227903
N-methyl-5-methylsulfanylpentan-1-amine
CID 58719975
N-(2-ethylsulfonylethyl)-3-methylsulfanylpropan-1-amine
CID 63964934
2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide
CID 63245767

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide?
The IUPAC name of 2-(methylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide (CID 63957677) is 2-(methylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide?
The canonical SMILES for 2-(methylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide is CNCCS(=O)(=O)NCCCSC.
What is the InChIKey of 2-(methylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide?
The InChIKey is ZYJKYJTUOKRYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S2/c1-8-5-7-13(10,11)9-4-3-6-12-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(methylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide?
2-(methylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide has a molecular weight of 226.37 g/mol, XLogP of -0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide is sourced from PubChem (CID 63957677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).