N-methyl-1-methylsulfonylbut-3-en-1-amine

C6H13NO2S — CID 22082531

IUPACN-methyl-1-methylsulfonylbut-3-en-1-amine
SMILESC=CCC(NC)S(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-4-5-6(7-2)10(3,8)9/h4,6-7H,1,5H2,2-3H3
InChIKeyVEUHEFXIWMBYHU-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.15
Rot. Bonds4

About N-methyl-1-methylsulfonylbut-3-en-1-amine

N-methyl-1-methylsulfonylbut-3-en-1-amine (PubChem CID 22082531) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-methyl-1-methylsulfonylbut-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-methylsulfonylbut-3-en-1-amine
PubChem CID22082531
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-methyl-1-methylsulfonylbut-3-en-1-amine
SMILESC=CCC(NC)S(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-4-5-6(7-2)10(3,8)9/h4,6-7H,1,5H2,2-3H3
InChIKeyVEUHEFXIWMBYHU-UHFFFAOYSA-N
XLogP0.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylsulfonylbut-3-enyl)methanesulfonamide
CID 22082529
N-methyl-2-methylsulfonylpent-4-en-1-amine
CID 22082532
N,N-dimethyl-1-methylsulfonylbut-3-en-1-amine
CID 22082534
4-Ethylsulfonylbut-3-en-1-amine
CID 57031269
3-(Methylamino)-2,3-dihydro-1lambda6-thiophene-1,1-dione
CID 58168806
3-But-3-en-2-ylsulfonylpropan-1-amine
CID 58684589
3-methylsulfonyl-N-prop-2-enylpropan-1-amine
CID 62140502
N-(2-methylsulfonylethyl)but-3-en-1-amine
CID 64315813
2-Methylsulfonyl-1,2,3,6-tetrahydropyridine
CID 89923419
2-cyclopropylsulfonyl-2,3-dihydro-1H-pyrrole
CID 141268688
N-ethyl-1-methylsulfonylprop-2-en-1-amine
CID 174536236
1,1-Dioxo-2,3-dihydrothiophen-2-amine
CID 176243918

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfonylbut-3-en-1-amine?
The IUPAC name of N-methyl-1-methylsulfonylbut-3-en-1-amine (CID 22082531) is N-methyl-1-methylsulfonylbut-3-en-1-amine.
What is the SMILES notation for N-methyl-1-methylsulfonylbut-3-en-1-amine?
The canonical SMILES for N-methyl-1-methylsulfonylbut-3-en-1-amine is C=CCC(NC)S(C)(=O)=O.
What is the InChIKey of N-methyl-1-methylsulfonylbut-3-en-1-amine?
The InChIKey is VEUHEFXIWMBYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-4-5-6(7-2)10(3,8)9/h4,6-7H,1,5H2,2-3H3.
What are the key properties of N-methyl-1-methylsulfonylbut-3-en-1-amine?
N-methyl-1-methylsulfonylbut-3-en-1-amine has a molecular weight of 163.24 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfonylbut-3-en-1-amine is sourced from PubChem (CID 22082531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).