N,N-dimethyl-2-methylsulfonylpent-4-en-1-amine

C8H17NO2S — CID 22082535

IUPACN,N-dimethyl-2-methylsulfonylpent-4-en-1-amine
SMILESC=CCC(CN(C)C)S(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-5-6-8(7-9(2)3)12(4,10)11/h5,8H,1,6-7H2,2-4H3
InChIKeyKCRPQRYJDJTORB-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.54
Rot. Bonds5

About N,N-dimethyl-2-methylsulfonylpent-4-en-1-amine

N,N-dimethyl-2-methylsulfonylpent-4-en-1-amine (PubChem CID 22082535) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N,N-dimethyl-2-methylsulfonylpent-4-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-methylsulfonylpent-4-en-1-amine
PubChem CID22082535
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN,N-dimethyl-2-methylsulfonylpent-4-en-1-amine
SMILESC=CCC(CN(C)C)S(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-5-6-8(7-9(2)3)12(4,10)11/h5,8H,1,6-7H2,2-4H3
InChIKeyKCRPQRYJDJTORB-UHFFFAOYSA-N
XLogP0.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl(3-oct-1-en-2-ylsulfonylpropyl)azanium
CID 122186578
N,N-dimethyl-1-methylsulfonylbut-3-en-1-amine
CID 22082534
3-butylsulfonyl-N,N-dimethylprop-2-en-1-amine
CID 54357399
1-(Dimethylamino)hex-5-ene-3-sulfonic acid
CID 87170738
But-3-ene-1-sulfonate;tributyl(methyl)azanium
CID 88537162
(Z)-3-butylsulfonyl-N,N-dimethylprop-2-en-1-amine
CID 88797014
(E)-N-ethyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine
CID 90058859
(E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine
CID 90058864
Methyl-(3-methylsulfonylpropyl)-bis(prop-2-enyl)azanium
CID 91494220
ethane;(Z)-N-methyl-N-(3-methylsulfonylpropyl)hex-2-en-1-amine
CID 144566598
1-[Dimethyl(pentyl)azaniumyl]hex-5-ene-3-sulfonate
CID 162124556
(3R)-1-methyl-3-[(Z)-3-methylbut-1-enyl]sulfonylpyrrolidine
CID 172295417

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-methylsulfonylpent-4-en-1-amine?
The IUPAC name of N,N-dimethyl-2-methylsulfonylpent-4-en-1-amine (CID 22082535) is N,N-dimethyl-2-methylsulfonylpent-4-en-1-amine.
What is the SMILES notation for N,N-dimethyl-2-methylsulfonylpent-4-en-1-amine?
The canonical SMILES for N,N-dimethyl-2-methylsulfonylpent-4-en-1-amine is C=CCC(CN(C)C)S(C)(=O)=O.
What is the InChIKey of N,N-dimethyl-2-methylsulfonylpent-4-en-1-amine?
The InChIKey is KCRPQRYJDJTORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-5-6-8(7-9(2)3)12(4,10)11/h5,8H,1,6-7H2,2-4H3.
What are the key properties of N,N-dimethyl-2-methylsulfonylpent-4-en-1-amine?
N,N-dimethyl-2-methylsulfonylpent-4-en-1-amine has a molecular weight of 191.30 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylsulfonylpent-4-en-1-amine is sourced from PubChem (CID 22082535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).