N-[(E)-3,3-dimethoxyprop-1-enyl]methanesulfonamide

C6H13NO4S — CID 59253692

IUPACN-[(E)-3,3-dimethoxyprop-1-enyl]methanesulfonamide
SMILESCOC(/C=C/NS(C)(=O)=O)OC
InChIInChI=1S/C6H13NO4S/c1-10-6(11-2)4-5-7-12(3,8)9/h4-7H,1-3H3/b5-4+
InChIKeyBIUZZULGKWODNX-SNAWJCMRSA-N
MW195.24 g/mol
LogP-0.33
Rot. Bonds5

About N-[(E)-3,3-dimethoxyprop-1-enyl]methanesulfonamide

N-[(E)-3,3-dimethoxyprop-1-enyl]methanesulfonamide (PubChem CID 59253692) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is N-[(E)-3,3-dimethoxyprop-1-enyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(E)-3,3-dimethoxyprop-1-enyl]methanesulfonamide
PubChem CID59253692
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC NameN-[(E)-3,3-dimethoxyprop-1-enyl]methanesulfonamide
SMILESCOC(/C=C/NS(C)(=O)=O)OC
InChIInChI=1S/C6H13NO4S/c1-10-6(11-2)4-5-7-12(3,8)9/h4-7H,1-3H3/b5-4+
InChIKeyBIUZZULGKWODNX-SNAWJCMRSA-N
XLogP-0.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-pent-1-en-3-ynyl]methanesulfonamide
CID 156685919
methanesulfonic acid;methanetriol
CID 174918384
9,9-dimethoxynona-1,3,5,7-tetraen-1-ol
CID 162293965
(E)-4,4-dimethoxy-2-methylbut-2-enoic acid
CID 87276147
methyl 2-fluoro-2-fluorosulfonyl-5-methylhex-3-enoate
CID 123843298
(2E,4E)-6,6-dimethoxyhexa-2,4-dienenitrile
CID 10582967
N-(3-hydroxy-4-methoxybutyl)methanesulfonamide
CID 103875867
methanesulfonic acid;methyl acetate
CID 172690689
[(1Z,3E)-5,5-dimethoxypenta-1,3-dienyl]-tri(propan-2-yl)silane
CID 156686213
3-methoxy-3-(1-methoxyprop-2-enylsulfonyl)prop-1-ene
CID 90811533
N-[3-(4-oxobutan-2-yl)phenyl]methanesulfonamide
CID 117355560
methyl N-[(E)-2,2,6,6-tetramethylhept-4-en-3-yl]sulfamate
CID 53260506

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3,3-dimethoxyprop-1-enyl]methanesulfonamide?
The IUPAC name of N-[(E)-3,3-dimethoxyprop-1-enyl]methanesulfonamide (CID 59253692) is N-[(E)-3,3-dimethoxyprop-1-enyl]methanesulfonamide.
What is the SMILES notation for N-[(E)-3,3-dimethoxyprop-1-enyl]methanesulfonamide?
The canonical SMILES for N-[(E)-3,3-dimethoxyprop-1-enyl]methanesulfonamide is COC(/C=C/NS(C)(=O)=O)OC.
What is the InChIKey of N-[(E)-3,3-dimethoxyprop-1-enyl]methanesulfonamide?
The InChIKey is BIUZZULGKWODNX-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-10-6(11-2)4-5-7-12(3,8)9/h4-7H,1-3H3/b5-4+.
What are the key properties of N-[(E)-3,3-dimethoxyprop-1-enyl]methanesulfonamide?
N-[(E)-3,3-dimethoxyprop-1-enyl]methanesulfonamide has a molecular weight of 195.24 g/mol, XLogP of -0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3,3-dimethoxyprop-1-enyl]methanesulfonamide is sourced from PubChem (CID 59253692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).