N-methyl-4-methylsulfanyloxy-N-propylcyclohexan-1-amine

C11H23NOS — CID 155405400

IUPACN-methyl-4-methylsulfanyloxy-N-propylcyclohexan-1-amine
SMILESCCCN(C)C1CCC(OSC)CC1
InChIInChI=1S/C11H23NOS/c1-4-9-12(2)10-5-7-11(8-6-10)13-14-3/h10-11H,4-9H2,1-3H3
InChIKeySWBJTXYNCSSJQW-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.93
Rot. Bonds5

About N-methyl-4-methylsulfanyloxy-N-propylcyclohexan-1-amine

N-methyl-4-methylsulfanyloxy-N-propylcyclohexan-1-amine (PubChem CID 155405400) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N-methyl-4-methylsulfanyloxy-N-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-methylsulfanyloxy-N-propylcyclohexan-1-amine
PubChem CID155405400
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN-methyl-4-methylsulfanyloxy-N-propylcyclohexan-1-amine
SMILESCCCN(C)C1CCC(OSC)CC1
InChIInChI=1S/C11H23NOS/c1-4-9-12(2)10-5-7-11(8-6-10)13-14-3/h10-11H,4-9H2,1-3H3
InChIKeySWBJTXYNCSSJQW-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze N-methyl-4-methylsulfanyloxy-N-propylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-methyl-N-propylcyclohexan-1-amine
CID 166800579
4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 115149052
ethane;N-methyl-N-propylazetidin-3-amine
CID 144899605
N'-cyclopropyl-2-ethoxy-N'-methylbutane-1,4-diamine
CID 63069693
N'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
CID 62974974
(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 26189078
N-cyclohexyl-N-methyl-N',N'-dipropylethane-1,2-diamine
CID 54810081
ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine
CID 176920815
N-methyl-N-pentylcyclobutanamine
CID 142562644
1-(4-methylcyclohexyl)-1-propylhydrazine
CID 70209412
2-[methyl-[4-(methylamino)cyclohexyl]amino]-N,N-dipropylacetamide
CID 79110170
N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
CID 155582825

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfanyloxy-N-propylcyclohexan-1-amine?
The IUPAC name of N-methyl-4-methylsulfanyloxy-N-propylcyclohexan-1-amine (CID 155405400) is N-methyl-4-methylsulfanyloxy-N-propylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-methylsulfanyloxy-N-propylcyclohexan-1-amine?
The canonical SMILES for N-methyl-4-methylsulfanyloxy-N-propylcyclohexan-1-amine is CCCN(C)C1CCC(OSC)CC1.
What is the InChIKey of N-methyl-4-methylsulfanyloxy-N-propylcyclohexan-1-amine?
The InChIKey is SWBJTXYNCSSJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-4-9-12(2)10-5-7-11(8-6-10)13-14-3/h10-11H,4-9H2,1-3H3.
What are the key properties of N-methyl-4-methylsulfanyloxy-N-propylcyclohexan-1-amine?
N-methyl-4-methylsulfanyloxy-N-propylcyclohexan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfanyloxy-N-propylcyclohexan-1-amine is sourced from PubChem (CID 155405400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).