(Z)-2-methylsulfonyl-1-phenylethenamine

C9H11NO2S — CID 13299506

IUPAC(Z)-2-methylsulfonyl-1-phenylethenamine
SMILESCS(=O)(=O)/C=C(\N)c1ccccc1
InChIInChI=1S/C9H11NO2S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-7H,10H2,1H3/b9-7-
InChIKeyBGPOKIJRQORMDO-CLFYSBASSA-N
MW197.26 g/mol
LogP0.99
Rot. Bonds2

About (Z)-2-methylsulfonyl-1-phenylethenamine

(Z)-2-methylsulfonyl-1-phenylethenamine (PubChem CID 13299506) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is (Z)-2-methylsulfonyl-1-phenylethenamine.

Molecular Properties

Compound Name(Z)-2-methylsulfonyl-1-phenylethenamine
PubChem CID13299506
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name(Z)-2-methylsulfonyl-1-phenylethenamine
SMILESCS(=O)(=O)/C=C(\N)c1ccccc1
InChIInChI=1S/C9H11NO2S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-7H,10H2,1H3/b9-7-
InChIKeyBGPOKIJRQORMDO-CLFYSBASSA-N
XLogP0.99
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-2-(2-bromophenyl)sulfonyl-1-phenylethenamine
CID 138974646
1-(2,6-difluorophenyl)-2-methylsulfonylethenamine
CID 23992930
(Z)-4-amino-2-oxo-4-phenylbut-3-enamide
CID 164569875
1,2-diphenylethene-1,2-diamine;sulfuric acid
CID 70255418
(E)-3,3-dimethyl-1-phenylbut-1-en-1-amine
CID 67619754
(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine
CID 143300629
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383
3-amino-3-oxo-2-phenylprop-1-ene-1-sulfonic acid
CID 141302392
methyl (Z)-4-amino-2-oxo-4-phenylbut-3-enoate
CID 13165118
(Z)-1-phenylpent-1-en-1-amine
CID 22065568
sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride
CID 173426238
3-amino-3-phenylprop-2-enethioamide
CID 71410978

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylsulfonyl-1-phenylethenamine?
The IUPAC name of (Z)-2-methylsulfonyl-1-phenylethenamine (CID 13299506) is (Z)-2-methylsulfonyl-1-phenylethenamine.
What is the SMILES notation for (Z)-2-methylsulfonyl-1-phenylethenamine?
The canonical SMILES for (Z)-2-methylsulfonyl-1-phenylethenamine is CS(=O)(=O)/C=C(\N)c1ccccc1.
What is the InChIKey of (Z)-2-methylsulfonyl-1-phenylethenamine?
The InChIKey is BGPOKIJRQORMDO-CLFYSBASSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-7H,10H2,1H3/b9-7-.
What are the key properties of (Z)-2-methylsulfonyl-1-phenylethenamine?
(Z)-2-methylsulfonyl-1-phenylethenamine has a molecular weight of 197.26 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylsulfonyl-1-phenylethenamine is sourced from PubChem (CID 13299506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).