2-(but-3-enylamino)-N,N-dimethylethanesulfonamide

C8H18N2O2S — CID 140863709

IUPAC2-(but-3-enylamino)-N,N-dimethylethanesulfonamide
SMILESC=CCCNCCS(=O)(=O)N(C)C
InChIInChI=1S/C8H18N2O2S/c1-4-5-6-9-7-8-13(11,12)10(2)3/h4,9H,1,5-8H2,2-3H3
InChIKeyDLHDBWNMTICUDV-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.04
Rot. Bonds7

About 2-(but-3-enylamino)-N,N-dimethylethanesulfonamide

2-(but-3-enylamino)-N,N-dimethylethanesulfonamide (PubChem CID 140863709) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(but-3-enylamino)-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-(but-3-enylamino)-N,N-dimethylethanesulfonamide
PubChem CID140863709
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-(but-3-enylamino)-N,N-dimethylethanesulfonamide
SMILESC=CCCNCCS(=O)(=O)N(C)C
InChIInChI=1S/C8H18N2O2S/c1-4-5-6-9-7-8-13(11,12)10(2)3/h4,9H,1,5-8H2,2-3H3
InChIKeyDLHDBWNMTICUDV-UHFFFAOYSA-N
XLogP0.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(but-3-enylamino)ethanesulfonic acid
CID 87607348
2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide
CID 106335897
N,N-dimethyl-2-(oxan-4-ylmethylamino)ethanesulfonamide
CID 106335406
N-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 87793604
2-(cyanoamino)-N,N-dimethylethanesulfonamide
CID 106337700
N,N-dimethyl-2-[(4-methylphenyl)methylamino]ethanesulfonamide
CID 106335849
N-(2-chloroethyl)but-3-en-1-amine
CID 55287315
N,N-dimethyl-2-[(2,4,5-trimethylphenyl)methylamino]ethanesulfonamide
CID 106335145
2-[(4-tert-butylphenyl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335316
N-methyl-N-propylbut-3-ene-1-sulfonamide
CID 88853268
N-(methylsulfonimidoyl)but-3-en-1-amine
CID 130382588
2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 114175013

Frequently Asked Questions

What is the IUPAC name of 2-(but-3-enylamino)-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-(but-3-enylamino)-N,N-dimethylethanesulfonamide (CID 140863709) is 2-(but-3-enylamino)-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-(but-3-enylamino)-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-(but-3-enylamino)-N,N-dimethylethanesulfonamide is C=CCCNCCS(=O)(=O)N(C)C.
What is the InChIKey of 2-(but-3-enylamino)-N,N-dimethylethanesulfonamide?
The InChIKey is DLHDBWNMTICUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-4-5-6-9-7-8-13(11,12)10(2)3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 2-(but-3-enylamino)-N,N-dimethylethanesulfonamide?
2-(but-3-enylamino)-N,N-dimethylethanesulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-enylamino)-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 140863709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).