2,2-dimethylaziridine-1-sulfonamide

C4H10N2O2S — CID 174873546

IUPAC2,2-dimethylaziridine-1-sulfonamide
SMILESCC1(C)CN1S(N)(=O)=O
InChIInChI=1S/C4H10N2O2S/c1-4(2)3-6(4)9(5,7)8/h3H2,1-2H3,(H2,5,7,8)
InChIKeySAAHNMNJXZGCII-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.72
Rot. Bonds1

About 2,2-dimethylaziridine-1-sulfonamide

2,2-dimethylaziridine-1-sulfonamide (PubChem CID 174873546) has the molecular formula C4H10N2O2S and a molecular weight of 150.20 g/mol. Its IUPAC name is 2,2-dimethylaziridine-1-sulfonamide.

Molecular Properties

Compound Name2,2-dimethylaziridine-1-sulfonamide
PubChem CID174873546
Molecular FormulaC4H10N2O2S
Molecular Weight150.20 g/mol
Exact Mass150.05
IUPAC Name2,2-dimethylaziridine-1-sulfonamide
SMILESCC1(C)CN1S(N)(=O)=O
InChIInChI=1S/C4H10N2O2S/c1-4(2)3-6(4)9(5,7)8/h3H2,1-2H3,(H2,5,7,8)
InChIKeySAAHNMNJXZGCII-UHFFFAOYSA-N
XLogP-0.72
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 87778799
CID 87778799
CID 127003841
CID 127003841
CID 145785275
CID 145785275
CID 117555193
CID 117555193
CID 117581550
CID 117581550
CID 117581551
CID 117581551
CID 144604186
CID 144604186

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylaziridine-1-sulfonamide?
The IUPAC name of 2,2-dimethylaziridine-1-sulfonamide (CID 174873546) is 2,2-dimethylaziridine-1-sulfonamide.
What is the SMILES notation for 2,2-dimethylaziridine-1-sulfonamide?
The canonical SMILES for 2,2-dimethylaziridine-1-sulfonamide is CC1(C)CN1S(N)(=O)=O.
What is the InChIKey of 2,2-dimethylaziridine-1-sulfonamide?
The InChIKey is SAAHNMNJXZGCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S/c1-4(2)3-6(4)9(5,7)8/h3H2,1-2H3,(H2,5,7,8).
What are the key properties of 2,2-dimethylaziridine-1-sulfonamide?
2,2-dimethylaziridine-1-sulfonamide has a molecular weight of 150.20 g/mol, XLogP of -0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylaziridine-1-sulfonamide is sourced from PubChem (CID 174873546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).