2-(cyanoamino)-N,N-dimethylethanesulfonamide

C5H11N3O2S — CID 106337700

IUPAC2-(cyanoamino)-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNC#N
InChIInChI=1S/C5H11N3O2S/c1-8(2)11(9,10)4-3-7-5-6/h7H,3-4H2,1-2H3
InChIKeyFJKLJWPGRADNSJ-UHFFFAOYSA-N
MW177.23 g/mol
LogP-1.05
Rot. Bonds4

About 2-(cyanoamino)-N,N-dimethylethanesulfonamide

2-(cyanoamino)-N,N-dimethylethanesulfonamide (PubChem CID 106337700) has the molecular formula C5H11N3O2S and a molecular weight of 177.23 g/mol. Its IUPAC name is 2-(cyanoamino)-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-(cyanoamino)-N,N-dimethylethanesulfonamide
PubChem CID106337700
Molecular FormulaC5H11N3O2S
Molecular Weight177.23 g/mol
Exact Mass177.06
IUPAC Name2-(cyanoamino)-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNC#N
InChIInChI=1S/C5H11N3O2S/c1-8(2)11(9,10)4-3-7-5-6/h7H,3-4H2,1-2H3
InChIKeyFJKLJWPGRADNSJ-UHFFFAOYSA-N
XLogP-1.05
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

S-(2-(Methylamino)ethyl) 2-(methylamino)ethanesulfonothioate
CID 434079
CID 6994586
CID 6994586
2-amino-N,N-dimethylethane-1-sulfonamide hydrochloride
CID 23448789
3-amino-N,N-dimethylpropane-1-sulfonamide hydrochloride
CID 49757600
2-(Methylamino)ethane-1-sulfonamide hydrochloride
CID 126806011
Ethanesulfonic acid, 2-(methylamino)-, ion(1-)
CID 22500965
N-methyl-2-(methylamino)ethane-1-sulfonamide hydrochloride
CID 74889896
3-amino-N,N-dimethylpropane-1-sulfonamide
CID 19261643
2-amino-N,N-dimethylethanesulfonamide
CID 19831215
2-(Methylamino)ethane-1-sulfonamide
CID 22002235
N-methyl-2-(methylamino)ethanesulfonamide
CID 54452961
N-methylazetidine-3-sulfonamide
CID 117273967

Frequently Asked Questions

What is the IUPAC name of 2-(cyanoamino)-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-(cyanoamino)-N,N-dimethylethanesulfonamide (CID 106337700) is 2-(cyanoamino)-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-(cyanoamino)-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-(cyanoamino)-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCNC#N.
What is the InChIKey of 2-(cyanoamino)-N,N-dimethylethanesulfonamide?
The InChIKey is FJKLJWPGRADNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2S/c1-8(2)11(9,10)4-3-7-5-6/h7H,3-4H2,1-2H3.
What are the key properties of 2-(cyanoamino)-N,N-dimethylethanesulfonamide?
2-(cyanoamino)-N,N-dimethylethanesulfonamide has a molecular weight of 177.23 g/mol, XLogP of -1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanoamino)-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106337700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).