(2S)-N,N,2-trimethylaziridine-1-sulfonamide

C5H12N2O2S — CID 144604186

IUPAC(2S)-N,N,2-trimethylaziridine-1-sulfonamide
SMILESC[C@H]1CN1S(=O)(=O)N(C)C
InChIInChI=1S/C5H12N2O2S/c1-5-4-7(5)10(8,9)6(2)3/h5H,4H2,1-3H3/t5-,7?/m0/s1
InChIKeyNHPOQSLCVISMDH-DSEUIKHZSA-N
MW164.23 g/mol
LogP-0.50
Rot. Bonds2

About (2S)-N,N,2-trimethylaziridine-1-sulfonamide

(2S)-N,N,2-trimethylaziridine-1-sulfonamide (PubChem CID 144604186) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is (2S)-N,N,2-trimethylaziridine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N,N,2-trimethylaziridine-1-sulfonamide
PubChem CID144604186
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name(2S)-N,N,2-trimethylaziridine-1-sulfonamide
SMILESC[C@H]1CN1S(=O)(=O)N(C)C
InChIInChI=1S/C5H12N2O2S/c1-5-4-7(5)10(8,9)6(2)3/h5H,4H2,1-3H3/t5-,7?/m0/s1
InChIKeyNHPOQSLCVISMDH-DSEUIKHZSA-N
XLogP-0.50
TPSA40.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N,2-trimethylaziridine-1-sulfonamide?
The IUPAC name of (2S)-N,N,2-trimethylaziridine-1-sulfonamide (CID 144604186) is (2S)-N,N,2-trimethylaziridine-1-sulfonamide.
What is the SMILES notation for (2S)-N,N,2-trimethylaziridine-1-sulfonamide?
The canonical SMILES for (2S)-N,N,2-trimethylaziridine-1-sulfonamide is C[C@H]1CN1S(=O)(=O)N(C)C.
What is the InChIKey of (2S)-N,N,2-trimethylaziridine-1-sulfonamide?
The InChIKey is NHPOQSLCVISMDH-DSEUIKHZSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-5-4-7(5)10(8,9)6(2)3/h5H,4H2,1-3H3/t5-,7?/m0/s1.
What are the key properties of (2S)-N,N,2-trimethylaziridine-1-sulfonamide?
(2S)-N,N,2-trimethylaziridine-1-sulfonamide has a molecular weight of 164.23 g/mol, XLogP of -0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N,2-trimethylaziridine-1-sulfonamide is sourced from PubChem (CID 144604186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).