prop-2-enyl N-[(Z)-1-(methylideneamino)-2-sulfanylethenyl]carbamate

C7H10N2O2S — CID 142837542

IUPACprop-2-enyl N-[(Z)-1-(methylideneamino)-2-sulfanylethenyl]carbamate
SMILESC=CCOC(=O)N/C(=C/S)N=C
InChIInChI=1S/C7H10N2O2S/c1-3-4-11-7(10)9-6(5-12)8-2/h3,5,12H,1-2,4H2,(H,9,10)/b6-5+
InChIKeyAPERTFQJBRGBAE-AATRIKPKSA-N
MW186.24 g/mol
LogP1.33
Rot. Bonds4

About prop-2-enyl N-[(Z)-1-(methylideneamino)-2-sulfanylethenyl]carbamate

prop-2-enyl N-[(Z)-1-(methylideneamino)-2-sulfanylethenyl]carbamate (PubChem CID 142837542) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is prop-2-enyl N-[(Z)-1-(methylideneamino)-2-sulfanylethenyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(Z)-1-(methylideneamino)-2-sulfanylethenyl]carbamate
PubChem CID142837542
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Nameprop-2-enyl N-[(Z)-1-(methylideneamino)-2-sulfanylethenyl]carbamate
SMILESC=CCOC(=O)N/C(=C/S)N=C
InChIInChI=1S/C7H10N2O2S/c1-3-4-11-7(10)9-6(5-12)8-2/h3,5,12H,1-2,4H2,(H,9,10)/b6-5+
InChIKeyAPERTFQJBRGBAE-AATRIKPKSA-N
XLogP1.33
TPSA50.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl N-sulfanylcarbamate
CID 90994311
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4-(prop-2-enoxycarbonylamino)bicyclo[2.2.2]octane-1-carboxylic acid
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prop-2-enyl N-[3-[(2-bromoacetyl)amino]propyl]carbamate
CID 140660586
bis(prop-2-enyl) carbonate;ethene
CID 87465968
magnesium;bis(prop-2-enyl) propanedioate;hydride
CID 173327866
buta-1,3-diene;prop-2-enyl prop-2-enoate
CID 87253709
3,3,3-trifluoro-2-methyl-2-(prop-2-enoxycarbonylamino)propanoic acid
CID 79795491
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CID 131748625

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(Z)-1-(methylideneamino)-2-sulfanylethenyl]carbamate?
The IUPAC name of prop-2-enyl N-[(Z)-1-(methylideneamino)-2-sulfanylethenyl]carbamate (CID 142837542) is prop-2-enyl N-[(Z)-1-(methylideneamino)-2-sulfanylethenyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(Z)-1-(methylideneamino)-2-sulfanylethenyl]carbamate?
The canonical SMILES for prop-2-enyl N-[(Z)-1-(methylideneamino)-2-sulfanylethenyl]carbamate is C=CCOC(=O)N/C(=C/S)N=C.
What is the InChIKey of prop-2-enyl N-[(Z)-1-(methylideneamino)-2-sulfanylethenyl]carbamate?
The InChIKey is APERTFQJBRGBAE-AATRIKPKSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-3-4-11-7(10)9-6(5-12)8-2/h3,5,12H,1-2,4H2,(H,9,10)/b6-5+.
What are the key properties of prop-2-enyl N-[(Z)-1-(methylideneamino)-2-sulfanylethenyl]carbamate?
prop-2-enyl N-[(Z)-1-(methylideneamino)-2-sulfanylethenyl]carbamate has a molecular weight of 186.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(Z)-1-(methylideneamino)-2-sulfanylethenyl]carbamate is sourced from PubChem (CID 142837542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).