N,N-dimethyl-1-methylsulfonylprop-2-en-1-amine

C6H13NO2S — CID 91374999

IUPACN,N-dimethyl-1-methylsulfonylprop-2-en-1-amine
SMILESC=CC(N(C)C)S(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-5-6(7(2)3)10(4,8)9/h5-6H,1H2,2-4H3
InChIKeyNGOHKKDPTVUNFD-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.10
Rot. Bonds3

About N,N-dimethyl-1-methylsulfonylprop-2-en-1-amine

N,N-dimethyl-1-methylsulfonylprop-2-en-1-amine (PubChem CID 91374999) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N,N-dimethyl-1-methylsulfonylprop-2-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-methylsulfonylprop-2-en-1-amine
PubChem CID91374999
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN,N-dimethyl-1-methylsulfonylprop-2-en-1-amine
SMILESC=CC(N(C)C)S(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-5-6(7(2)3)10(4,8)9/h5-6H,1H2,2-4H3
InChIKeyNGOHKKDPTVUNFD-UHFFFAOYSA-N
XLogP0.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.10
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

N,N-dimethyl-1-methylsulfonylbut-3-en-1-amine
CID 22082534
3-butylsulfonyl-N,N-dimethylprop-2-en-1-amine
CID 54357399
1-(Dimethylamino)prop-2-ene-1-sulfonic acid
CID 54501720
3-(Dimethylamino)prop-1-ene-1-sulfonyl chloride
CID 59361776
2,4-Bis(ethenyl)-3,3-dimethyl-1,3-thiazetidin-3-ium 1,1-dioxide chloride
CID 67741673
CID 72270639
CID 72270639
Sodium 2-[methyl(prop-2-enyl)amino]ethanesulfonate
CID 87211750
(Z)-3-butylsulfonyl-N,N-dimethylprop-2-en-1-amine
CID 88797014
(E)-N,N-dimethyl-3-methylsulfonylprop-2-en-1-amine
CID 89409037
(E)-N-ethyl-N-methyl-3-methylsulfonylprop-2-en-1-amine
CID 118584300
(E)-N,N-dimethyl-3-propan-2-ylsulfonylprop-2-en-1-amine
CID 129118271
(E)-N-ethyl-N-methyl-3-propan-2-ylsulfonylprop-2-en-1-amine
CID 129118273

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-methylsulfonylprop-2-en-1-amine?
The IUPAC name of N,N-dimethyl-1-methylsulfonylprop-2-en-1-amine (CID 91374999) is N,N-dimethyl-1-methylsulfonylprop-2-en-1-amine.
What is the SMILES notation for N,N-dimethyl-1-methylsulfonylprop-2-en-1-amine?
The canonical SMILES for N,N-dimethyl-1-methylsulfonylprop-2-en-1-amine is C=CC(N(C)C)S(C)(=O)=O.
What is the InChIKey of N,N-dimethyl-1-methylsulfonylprop-2-en-1-amine?
The InChIKey is NGOHKKDPTVUNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-5-6(7(2)3)10(4,8)9/h5-6H,1H2,2-4H3.
What are the key properties of N,N-dimethyl-1-methylsulfonylprop-2-en-1-amine?
N,N-dimethyl-1-methylsulfonylprop-2-en-1-amine has a molecular weight of 163.24 g/mol, XLogP of 0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-methylsulfonylprop-2-en-1-amine is sourced from PubChem (CID 91374999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).