N-(3-methylbut-2-enyl)-N-prop-2-enylmethanesulfonamide

C9H17NO2S — CID 135036402

IUPACN-(3-methylbut-2-enyl)-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(CC=C(C)C)S(C)(=O)=O
InChIInChI=1S/C9H17NO2S/c1-5-7-10(13(4,11)12)8-6-9(2)3/h5-6H,1,7-8H2,2-4H3
InChIKeyQIUJHAMCHZPUMB-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.40
Rot. Bonds5

About N-(3-methylbut-2-enyl)-N-prop-2-enylmethanesulfonamide

N-(3-methylbut-2-enyl)-N-prop-2-enylmethanesulfonamide (PubChem CID 135036402) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-N-prop-2-enylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-N-prop-2-enylmethanesulfonamide
PubChem CID135036402
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-(3-methylbut-2-enyl)-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(CC=C(C)C)S(C)(=O)=O
InChIInChI=1S/C9H17NO2S/c1-5-7-10(13(4,11)12)8-6-9(2)3/h5-6H,1,7-8H2,2-4H3
InChIKeyQIUJHAMCHZPUMB-UHFFFAOYSA-N
XLogP1.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbut-2-enyl)-N-prop-2-ynylmethanesulfonamide
CID 102219436
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide
CID 58837153
N-methylsulfonyl-N-prop-2-enylmethanesulfonamide
CID 13122211
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide
CID 113065281
N,N-bis(pent-4-enyl)methanesulfonamide
CID 155624324
2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide
CID 113065214
methanesulfonic acid;N-methyl-N-prop-2-enylprop-2-en-1-amine
CID 89483061
3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide
CID 113136439
N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide
CID 113136448
1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea
CID 113065279
N-butyl-N-methyl-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148121
4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide
CID 136512519

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-N-prop-2-enylmethanesulfonamide?
The IUPAC name of N-(3-methylbut-2-enyl)-N-prop-2-enylmethanesulfonamide (CID 135036402) is N-(3-methylbut-2-enyl)-N-prop-2-enylmethanesulfonamide.
What is the SMILES notation for N-(3-methylbut-2-enyl)-N-prop-2-enylmethanesulfonamide?
The canonical SMILES for N-(3-methylbut-2-enyl)-N-prop-2-enylmethanesulfonamide is C=CCN(CC=C(C)C)S(C)(=O)=O.
What is the InChIKey of N-(3-methylbut-2-enyl)-N-prop-2-enylmethanesulfonamide?
The InChIKey is QIUJHAMCHZPUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-5-7-10(13(4,11)12)8-6-9(2)3/h5-6H,1,7-8H2,2-4H3.
What are the key properties of N-(3-methylbut-2-enyl)-N-prop-2-enylmethanesulfonamide?
N-(3-methylbut-2-enyl)-N-prop-2-enylmethanesulfonamide has a molecular weight of 203.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-N-prop-2-enylmethanesulfonamide is sourced from PubChem (CID 135036402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).