1-methoxy-4-[1-(sulfinoamino)prop-1-en-2-yl]benzene

C10H13NO3S — CID 175080674

IUPAC1-methoxy-4-[1-(sulfinoamino)prop-1-en-2-yl]benzene
SMILESCOc1ccc(C(C)=CNS(=O)O)cc1
InChIInChI=1S/C10H13NO3S/c1-8(7-11-15(12)13)9-3-5-10(14-2)6-4-9/h3-7,11H,1-2H3,(H,12,13)
InChIKeyBTYKQBKKSZTTQJ-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.78
Rot. Bonds4

About 1-methoxy-4-[1-(sulfinoamino)prop-1-en-2-yl]benzene

1-methoxy-4-[1-(sulfinoamino)prop-1-en-2-yl]benzene (PubChem CID 175080674) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-methoxy-4-[1-(sulfinoamino)prop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[1-(sulfinoamino)prop-1-en-2-yl]benzene
PubChem CID175080674
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name1-methoxy-4-[1-(sulfinoamino)prop-1-en-2-yl]benzene
SMILESCOc1ccc(C(C)=CNS(=O)O)cc1
InChIInChI=1S/C10H13NO3S/c1-8(7-11-15(12)13)9-3-5-10(14-2)6-4-9/h3-7,11H,1-2H3,(H,12,13)
InChIKeyBTYKQBKKSZTTQJ-UHFFFAOYSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-(4-methoxyphenyl)but-2-enoate
CID 11074539
2-(4-methoxyphenyl)prop-1-enylboronic acid
CID 174428256
1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene
CID 134934706
1-methoxy-4-[phenyl(sulfonyl)methyl]benzene
CID 134894682
4-(4-methoxyphenyl)pent-3-enoic acid
CID 57142531
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
1-[2-(4-methoxyphenyl)ethenyl]-4-(sulfinoamino)benzene
CID 54141547
(2E,4E)-5-(4-methoxyphenyl)hexa-2,4-dienoic acid
CID 14347285
5-(4-methoxyphenyl)hexa-2,4-dienoic acid
CID 54069539
(NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine
CID 155208974
(E)-5-(4-methoxyphenyl)hex-4-enoic acid
CID 82079765
1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene
CID 10329885

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1-(sulfinoamino)prop-1-en-2-yl]benzene?
The IUPAC name of 1-methoxy-4-[1-(sulfinoamino)prop-1-en-2-yl]benzene (CID 175080674) is 1-methoxy-4-[1-(sulfinoamino)prop-1-en-2-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[1-(sulfinoamino)prop-1-en-2-yl]benzene?
The canonical SMILES for 1-methoxy-4-[1-(sulfinoamino)prop-1-en-2-yl]benzene is COc1ccc(C(C)=CNS(=O)O)cc1.
What is the InChIKey of 1-methoxy-4-[1-(sulfinoamino)prop-1-en-2-yl]benzene?
The InChIKey is BTYKQBKKSZTTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-8(7-11-15(12)13)9-3-5-10(14-2)6-4-9/h3-7,11H,1-2H3,(H,12,13).
What are the key properties of 1-methoxy-4-[1-(sulfinoamino)prop-1-en-2-yl]benzene?
1-methoxy-4-[1-(sulfinoamino)prop-1-en-2-yl]benzene has a molecular weight of 227.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1-(sulfinoamino)prop-1-en-2-yl]benzene is sourced from PubChem (CID 175080674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).