N-(cyclohexylmethyl)-1-methylsulfanyl-2-nitroethenamine

C10H18N2O2S — CID 69073433

IUPACN-(cyclohexylmethyl)-1-methylsulfanyl-2-nitroethenamine
SMILESCSC(=C[N+](=O)[O-])NCC1CCCCC1
InChIInChI=1S/C10H18N2O2S/c1-15-10(8-12(13)14)11-7-9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3
InChIKeyADSFNIKXXMZARJ-UHFFFAOYSA-N
MW230.33 g/mol
LogP2.59
Rot. Bonds5

About N-(cyclohexylmethyl)-1-methylsulfanyl-2-nitroethenamine

N-(cyclohexylmethyl)-1-methylsulfanyl-2-nitroethenamine (PubChem CID 69073433) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-methylsulfanyl-2-nitroethenamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-methylsulfanyl-2-nitroethenamine
PubChem CID69073433
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-(cyclohexylmethyl)-1-methylsulfanyl-2-nitroethenamine
SMILESCSC(=C[N+](=O)[O-])NCC1CCCCC1
InChIInChI=1S/C10H18N2O2S/c1-15-10(8-12(13)14)11-7-9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3
InChIKeyADSFNIKXXMZARJ-UHFFFAOYSA-N
XLogP2.59
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 52.59
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

1-methylsulfanyl-2-nitro-N-[2-(oxolan-3-yl)ethyl]ethenamine
CID 67621511
2-methyl-N-(1-methylsulfanyl-2-nitroethenyl)propan-1-amine
CID 4516477
N-methyl-N-(1-methylsulfanyl-2-nitroethenyl)cyclohexanamine
CID 69073431
methyl (Z)-3-(cyclohexylmethylamino)but-2-enoate
CID 101371297
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
nitromethylcycloheptane
CID 15584171
1-cyano-N-(cyclohexylmethyl)formamide
CID 115172259
1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea
CID 46494092
N-(cyclohexylmethyl)-4-oxopentanamide
CID 60637241
1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266985
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
2-cyclohexylethyl nitrate
CID 57206910

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-methylsulfanyl-2-nitroethenamine?
The IUPAC name of N-(cyclohexylmethyl)-1-methylsulfanyl-2-nitroethenamine (CID 69073433) is N-(cyclohexylmethyl)-1-methylsulfanyl-2-nitroethenamine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-methylsulfanyl-2-nitroethenamine?
The canonical SMILES for N-(cyclohexylmethyl)-1-methylsulfanyl-2-nitroethenamine is CSC(=C[N+](=O)[O-])NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-1-methylsulfanyl-2-nitroethenamine?
The InChIKey is ADSFNIKXXMZARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-15-10(8-12(13)14)11-7-9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-1-methylsulfanyl-2-nitroethenamine?
N-(cyclohexylmethyl)-1-methylsulfanyl-2-nitroethenamine has a molecular weight of 230.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-methylsulfanyl-2-nitroethenamine is sourced from PubChem (CID 69073433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).