N-methyl-N-(1-methylsulfanyl-2-nitroethenyl)cyclohexanamine

C10H18N2O2S — CID 69073431

IUPACN-methyl-N-(1-methylsulfanyl-2-nitroethenyl)cyclohexanamine
SMILESCSC(=C[N+](=O)[O-])N(C)C1CCCCC1
InChIInChI=1S/C10H18N2O2S/c1-11(9-6-4-3-5-7-9)10(15-2)8-12(13)14/h8-9H,3-7H2,1-2H3
InChIKeyCAVVCSZEYYGJAE-UHFFFAOYSA-N
MW230.33 g/mol
LogP2.69
Rot. Bonds4

About N-methyl-N-(1-methylsulfanyl-2-nitroethenyl)cyclohexanamine

N-methyl-N-(1-methylsulfanyl-2-nitroethenyl)cyclohexanamine (PubChem CID 69073431) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanyl-2-nitroethenyl)cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanyl-2-nitroethenyl)cyclohexanamine
PubChem CID69073431
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-methyl-N-(1-methylsulfanyl-2-nitroethenyl)cyclohexanamine
SMILESCSC(=C[N+](=O)[O-])N(C)C1CCCCC1
InChIInChI=1S/C10H18N2O2S/c1-11(9-6-4-3-5-7-9)10(15-2)8-12(13)14/h8-9H,3-7H2,1-2H3
InChIKeyCAVVCSZEYYGJAE-UHFFFAOYSA-N
XLogP2.69
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
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-(cyclohexylmethyl)-1-methylsulfanyl-2-nitroethenamine
CID 69073433
cis-(1R,2S)-N-cyclooctyl-N-methyl-2-nitrocyclopropane-1-carboxamide
CID 96998079
(E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide
CID 18102009
1-cyclooctyl-1-methylurea
CID 126989312
4-[cyclohexyl(methyl)amino]-4-oxobut-2-enoate
CID 3628246
N-cyclohexyl-N-methylbut-2-enamide
CID 78907896
(dicyclohexylamino) nitrate
CID 141326529
N-cyclohexyl-N-methyl-2-oxopropanamide
CID 115175558
N-cycloheptyl-2-hydroxy-N-methylacetamide
CID 130678772
N-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide
CID 17396951
(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide
CID 61149042
1-N,2-N-dimethyl-2-N-[(5-methyloxolan-3-yl)methyl]-1-N-(1-methylsulfanyl-2-nitroethenyl)propane-1,2-diamine
CID 139702795

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanyl-2-nitroethenyl)cyclohexanamine?
The IUPAC name of N-methyl-N-(1-methylsulfanyl-2-nitroethenyl)cyclohexanamine (CID 69073431) is N-methyl-N-(1-methylsulfanyl-2-nitroethenyl)cyclohexanamine.
What is the SMILES notation for N-methyl-N-(1-methylsulfanyl-2-nitroethenyl)cyclohexanamine?
The canonical SMILES for N-methyl-N-(1-methylsulfanyl-2-nitroethenyl)cyclohexanamine is CSC(=C[N+](=O)[O-])N(C)C1CCCCC1.
What is the InChIKey of N-methyl-N-(1-methylsulfanyl-2-nitroethenyl)cyclohexanamine?
The InChIKey is CAVVCSZEYYGJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-11(9-6-4-3-5-7-9)10(15-2)8-12(13)14/h8-9H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylsulfanyl-2-nitroethenyl)cyclohexanamine?
N-methyl-N-(1-methylsulfanyl-2-nitroethenyl)cyclohexanamine has a molecular weight of 230.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanyl-2-nitroethenyl)cyclohexanamine is sourced from PubChem (CID 69073431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).