N,4-dimethyl-2-(2-nitrophenyl)sulfinylcyclohexan-1-amine

C14H20N2O3S — CID 64653335

IUPACN,4-dimethyl-2-(2-nitrophenyl)sulfinylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1S(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3S/c1-10-7-8-11(15-2)14(9-10)20(19)13-6-4-3-5-12(13)16(17)18/h3-6,10-11,14-15H,7-9H2,1-2H3
InChIKeyBVLAPUFBRHXQMT-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.48
Rot. Bonds4

About N,4-dimethyl-2-(2-nitrophenyl)sulfinylcyclohexan-1-amine

N,4-dimethyl-2-(2-nitrophenyl)sulfinylcyclohexan-1-amine (PubChem CID 64653335) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N,4-dimethyl-2-(2-nitrophenyl)sulfinylcyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-(2-nitrophenyl)sulfinylcyclohexan-1-amine
PubChem CID64653335
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN,4-dimethyl-2-(2-nitrophenyl)sulfinylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1S(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3S/c1-10-7-8-11(15-2)14(9-10)20(19)13-6-4-3-5-12(13)16(17)18/h3-6,10-11,14-15H,7-9H2,1-2H3
InChIKeyBVLAPUFBRHXQMT-UHFFFAOYSA-N
XLogP2.48
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.48
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

2-(2-nitrophenyl)sulfinylcyclopentane-1-carbonitrile
CID 64690910
N-ethyl-2-[(2-fluoro-3-nitrophenyl)methyl]-4-methylcyclohexan-1-amine
CID 107350047
N-methyl-2-(2-nitrophenyl)sulfanylcyclopentan-1-amine
CID 64610741
N-methyl-2-(2-nitrophenoxy)cyclohexan-1-amine
CID 102634561
N-[(2-fluoro-3-nitrophenyl)methyl]-3-methylcyclopentan-1-amine
CID 107349489
potassium;hydride;2-nitrobenzenesulfinic acid
CID 173256156
sodium;hydride;2-nitrobenzenesulfinic acid
CID 132648001
(3aS,6R,7aR)-3,6-dimethyl-N-(2-nitrophenyl)-3a,4,5,6,7,7a-hexahydro-3H-inden-1-amine
CID 59992362
3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine
CID 43317674
N-(2,3-dimethylcyclohexyl)-2-nitroaniline
CID 43078427
2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-nitroaniline
CID 43719610
N-methyl-2-(2-nitrophenyl)sulfinylpentan-3-amine
CID 64653936

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(2-nitrophenyl)sulfinylcyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-2-(2-nitrophenyl)sulfinylcyclohexan-1-amine (CID 64653335) is N,4-dimethyl-2-(2-nitrophenyl)sulfinylcyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-2-(2-nitrophenyl)sulfinylcyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-2-(2-nitrophenyl)sulfinylcyclohexan-1-amine is CNC1CCC(C)CC1S(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N,4-dimethyl-2-(2-nitrophenyl)sulfinylcyclohexan-1-amine?
The InChIKey is BVLAPUFBRHXQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-7-8-11(15-2)14(9-10)20(19)13-6-4-3-5-12(13)16(17)18/h3-6,10-11,14-15H,7-9H2,1-2H3.
What are the key properties of N,4-dimethyl-2-(2-nitrophenyl)sulfinylcyclohexan-1-amine?
N,4-dimethyl-2-(2-nitrophenyl)sulfinylcyclohexan-1-amine has a molecular weight of 296.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-(2-nitrophenyl)sulfinylcyclohexan-1-amine is sourced from PubChem (CID 64653335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).