N-(1-ethylsulfonylethylsulfanyl)methanamine

C5H13NO2S2 — CID 170277499

IUPACN-(1-ethylsulfonylethylsulfanyl)methanamine
SMILESCCS(=O)(=O)C(C)SNC
InChIInChI=1S/C5H13NO2S2/c1-4-10(7,8)5(2)9-6-3/h5-6H,4H2,1-3H3
InChIKeyKDIXZRXLWLGYDM-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.63
Rot. Bonds4

About N-(1-ethylsulfonylethylsulfanyl)methanamine

N-(1-ethylsulfonylethylsulfanyl)methanamine (PubChem CID 170277499) has the molecular formula C5H13NO2S2 and a molecular weight of 183.30 g/mol. Its IUPAC name is N-(1-ethylsulfonylethylsulfanyl)methanamine.

Molecular Properties

Compound NameN-(1-ethylsulfonylethylsulfanyl)methanamine
PubChem CID170277499
Molecular FormulaC5H13NO2S2
Molecular Weight183.30 g/mol
Exact Mass183.04
IUPAC NameN-(1-ethylsulfonylethylsulfanyl)methanamine
SMILESCCS(=O)(=O)C(C)SNC
InChIInChI=1S/C5H13NO2S2/c1-4-10(7,8)5(2)9-6-3/h5-6H,4H2,1-3H3
InChIKeyKDIXZRXLWLGYDM-UHFFFAOYSA-N
XLogP0.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylethylsulfanyl)methanamine?
The IUPAC name of N-(1-ethylsulfonylethylsulfanyl)methanamine (CID 170277499) is N-(1-ethylsulfonylethylsulfanyl)methanamine.
What is the SMILES notation for N-(1-ethylsulfonylethylsulfanyl)methanamine?
The canonical SMILES for N-(1-ethylsulfonylethylsulfanyl)methanamine is CCS(=O)(=O)C(C)SNC.
What is the InChIKey of N-(1-ethylsulfonylethylsulfanyl)methanamine?
The InChIKey is KDIXZRXLWLGYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S2/c1-4-10(7,8)5(2)9-6-3/h5-6H,4H2,1-3H3.
What are the key properties of N-(1-ethylsulfonylethylsulfanyl)methanamine?
N-(1-ethylsulfonylethylsulfanyl)methanamine has a molecular weight of 183.30 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylethylsulfanyl)methanamine is sourced from PubChem (CID 170277499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).