N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylcyclohexyl)oxypropanamide

C14H26N2O2S — CID 43291123

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylcyclohexyl)oxypropanamide
SMILESCC1CCCCC1OCCC(=O)N(C)CCC(N)=S
InChIInChI=1S/C14H26N2O2S/c1-11-5-3-4-6-12(11)18-10-8-14(17)16(2)9-7-13(15)19/h11-12H,3-10H2,1-2H3,(H2,15,19)
InChIKeyYOWGLYDUZZABLW-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.11
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylcyclohexyl)oxypropanamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylcyclohexyl)oxypropanamide (PubChem CID 43291123) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylcyclohexyl)oxypropanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylcyclohexyl)oxypropanamide
PubChem CID43291123
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylcyclohexyl)oxypropanamide
SMILESCC1CCCCC1OCCC(=O)N(C)CCC(N)=S
InChIInChI=1S/C14H26N2O2S/c1-11-5-3-4-6-12(11)18-10-8-14(17)16(2)9-7-13(15)19/h11-12H,3-10H2,1-2H3,(H2,15,19)
InChIKeyYOWGLYDUZZABLW-UHFFFAOYSA-N
XLogP2.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylcyclohexyl)oxybutanethioamide
CID 24696361
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide
CID 61288394
N-(3-aminopropyl)-N-methyl-2-(2-methylcyclohexyl)oxyacetamide
CID 43254220
N-(3-amino-3-sulfanylidenepropyl)-2-(2,3-dimethylpiperidin-1-yl)-N-methylacetamide
CID 62123382
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(2-methoxyethoxy)propoxy]-N-methylpropanamide
CID 103402594
N-(3-amino-3-sulfanylidenepropyl)-3-[(2-hydroxycyclohexyl)-methylamino]-N-methylpropanamide
CID 102632300
N-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide
CID 106201796
3-(2-methylcyclohexyl)oxypropanimidamide
CID 24704850
N-(3-amino-3-sulfanylidenepropyl)-3-(4-ethoxypiperidin-1-yl)-N-methylpropanamide
CID 61220713
N-(3-amino-3-sulfanylidenepropyl)-3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methylpropanamide
CID 79918805
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545536
N-(3-amino-3-sulfanylidenepropyl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 54995342

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylcyclohexyl)oxypropanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylcyclohexyl)oxypropanamide (CID 43291123) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylcyclohexyl)oxypropanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylcyclohexyl)oxypropanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylcyclohexyl)oxypropanamide is CC1CCCCC1OCCC(=O)N(C)CCC(N)=S.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylcyclohexyl)oxypropanamide?
The InChIKey is YOWGLYDUZZABLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-11-5-3-4-6-12(11)18-10-8-14(17)16(2)9-7-13(15)19/h11-12H,3-10H2,1-2H3,(H2,15,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylcyclohexyl)oxypropanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylcyclohexyl)oxypropanamide has a molecular weight of 286.44 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylcyclohexyl)oxypropanamide is sourced from PubChem (CID 43291123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).