N-[(1Z)-1-methoxy-1-(methylamino)buta-1,3-dien-2-yl]methanesulfonamide

C7H14N2O3S — CID 146622261

IUPACN-[(1Z)-1-methoxy-1-(methylamino)buta-1,3-dien-2-yl]methanesulfonamide
SMILESC=C/C(NS(C)(=O)=O)=C(\NC)OC
InChIInChI=1S/C7H14N2O3S/c1-5-6(7(8-2)12-3)9-13(4,10)11/h5,8-9H,1H2,2-4H3/b7-6-
InChIKeyBHYDBNAGPWCDTI-SREVYHEPSA-N
MW206.27 g/mol
LogP-0.24
Rot. Bonds5

About N-[(1Z)-1-methoxy-1-(methylamino)buta-1,3-dien-2-yl]methanesulfonamide

N-[(1Z)-1-methoxy-1-(methylamino)buta-1,3-dien-2-yl]methanesulfonamide (PubChem CID 146622261) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-[(1Z)-1-methoxy-1-(methylamino)buta-1,3-dien-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1Z)-1-methoxy-1-(methylamino)buta-1,3-dien-2-yl]methanesulfonamide
PubChem CID146622261
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC NameN-[(1Z)-1-methoxy-1-(methylamino)buta-1,3-dien-2-yl]methanesulfonamide
SMILESC=C/C(NS(C)(=O)=O)=C(\NC)OC
InChIInChI=1S/C7H14N2O3S/c1-5-6(7(8-2)12-3)9-13(4,10)11/h5,8-9H,1H2,2-4H3/b7-6-
InChIKeyBHYDBNAGPWCDTI-SREVYHEPSA-N
XLogP-0.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(1Z)-1-[bromo(methyl)amino]-1-methoxybuta-1,3-dien-2-yl]methanesulfonamide
CID 166853107

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-methoxy-1-(methylamino)buta-1,3-dien-2-yl]methanesulfonamide?
The IUPAC name of N-[(1Z)-1-methoxy-1-(methylamino)buta-1,3-dien-2-yl]methanesulfonamide (CID 146622261) is N-[(1Z)-1-methoxy-1-(methylamino)buta-1,3-dien-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(1Z)-1-methoxy-1-(methylamino)buta-1,3-dien-2-yl]methanesulfonamide?
The canonical SMILES for N-[(1Z)-1-methoxy-1-(methylamino)buta-1,3-dien-2-yl]methanesulfonamide is C=C/C(NS(C)(=O)=O)=C(\NC)OC.
What is the InChIKey of N-[(1Z)-1-methoxy-1-(methylamino)buta-1,3-dien-2-yl]methanesulfonamide?
The InChIKey is BHYDBNAGPWCDTI-SREVYHEPSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-5-6(7(8-2)12-3)9-13(4,10)11/h5,8-9H,1H2,2-4H3/b7-6-.
What are the key properties of N-[(1Z)-1-methoxy-1-(methylamino)buta-1,3-dien-2-yl]methanesulfonamide?
N-[(1Z)-1-methoxy-1-(methylamino)buta-1,3-dien-2-yl]methanesulfonamide has a molecular weight of 206.27 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-methoxy-1-(methylamino)buta-1,3-dien-2-yl]methanesulfonamide is sourced from PubChem (CID 146622261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).