N-ethyl-2-methylsulfanyl-2-nitroethenamine

C5H10N2O2S — CID 173434456

IUPACN-ethyl-2-methylsulfanyl-2-nitroethenamine
SMILESCCNC=C(SC)[N+](=O)[O-]
InChIInChI=1S/C5H10N2O2S/c1-3-6-4-5(10-2)7(8)9/h4,6H,3H2,1-2H3
InChIKeyICRHOYDCPIIJDS-UHFFFAOYSA-N
MW162.21 g/mol
LogP1.03
Rot. Bonds4

About N-ethyl-2-methylsulfanyl-2-nitroethenamine

N-ethyl-2-methylsulfanyl-2-nitroethenamine (PubChem CID 173434456) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is N-ethyl-2-methylsulfanyl-2-nitroethenamine.

Molecular Properties

Compound NameN-ethyl-2-methylsulfanyl-2-nitroethenamine
PubChem CID173434456
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC NameN-ethyl-2-methylsulfanyl-2-nitroethenamine
SMILESCCNC=C(SC)[N+](=O)[O-]
InChIInChI=1S/C5H10N2O2S/c1-3-6-4-5(10-2)7(8)9/h4,6H,3H2,1-2H3
InChIKeyICRHOYDCPIIJDS-UHFFFAOYSA-N
XLogP1.03
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-Methyl-1-(methylthio)-2-nitroethenamine
CID 3035401
1-Methylthio-1-methylamino-2-nitroethylene
CID 123549
N-Methyl-1-(methylthio)-2-nitroethenamine, (Z)-
CID 2736798
5-Nitro-4-thiazoline
CID 66826124
2,2,2-trifluoro-N-[(E)-1-methylsulfanyl-2-nitroethenyl]ethanamine
CID 20464658
1-(Methylsulfanyl)-2-nitro-N-(2,2,2-trifluoroethyl)ethen-1-amine
CID 71391848
3-fluoro-N-[(E)-1-methylsulfanyl-2-nitroethenyl]propan-1-amine
CID 141977126
N-[(Z)-1-methylsulfanyl-2-nitroethenyl]propan-1-amine
CID 119098845
N-[(Z)-1-methylsulfanyl-2-nitroethenyl]butan-1-amine
CID 12182295
(E)-N-ethyl-1-methylsulfanyl-2-nitroethenamine
CID 12680296
3-bromo-N-[(E)-1-methylsulfanyl-2-nitroethenyl]propan-1-amine
CID 12831741
(E)-N-(2-bromoethyl)-1-methylsulfanyl-2-nitroethenamine
CID 12831743

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfanyl-2-nitroethenamine?
The IUPAC name of N-ethyl-2-methylsulfanyl-2-nitroethenamine (CID 173434456) is N-ethyl-2-methylsulfanyl-2-nitroethenamine.
What is the SMILES notation for N-ethyl-2-methylsulfanyl-2-nitroethenamine?
The canonical SMILES for N-ethyl-2-methylsulfanyl-2-nitroethenamine is CCNC=C(SC)[N+](=O)[O-].
What is the InChIKey of N-ethyl-2-methylsulfanyl-2-nitroethenamine?
The InChIKey is ICRHOYDCPIIJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-3-6-4-5(10-2)7(8)9/h4,6H,3H2,1-2H3.
What are the key properties of N-ethyl-2-methylsulfanyl-2-nitroethenamine?
N-ethyl-2-methylsulfanyl-2-nitroethenamine has a molecular weight of 162.21 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfanyl-2-nitroethenamine is sourced from PubChem (CID 173434456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).