1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxamide

C14H26N2O2S — CID 79635892

IUPAC1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxamide
SMILESCOCCCSC1CCCC(NC2CC2)(C(N)=O)C1
InChIInChI=1S/C14H26N2O2S/c1-18-8-3-9-19-12-4-2-7-14(10-12,13(15)17)16-11-5-6-11/h11-12,16H,2-10H2,1H3,(H2,15,17)
InChIKeyQZYDEICJRNCTMV-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.67
Rot. Bonds8

About 1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxamide

1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxamide (PubChem CID 79635892) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxamide
PubChem CID79635892
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxamide
SMILESCOCCCSC1CCCC(NC2CC2)(C(N)=O)C1
InChIInChI=1S/C14H26N2O2S/c1-18-8-3-9-19-12-4-2-7-14(10-12,13(15)17)16-11-5-6-11/h11-12,16H,2-10H2,1H3,(H2,15,17)
InChIKeyQZYDEICJRNCTMV-UHFFFAOYSA-N
XLogP1.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxylate
CID 79634851
3-butylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxamide
CID 79653743
1-(cyclopropylamino)-3-pentylsulfanylcyclopentane-1-carboxamide
CID 107755473
methyl 1-amino-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxylate
CID 79634347
1-(ethylamino)-3-(3-methoxypropylsulfanyl)cyclopentane-1-carboxylic acid
CID 79656319
1-(ethylamino)-3-propylsulfanylcyclohexane-1-carboxamide
CID 79637143
[3-(3-methoxypropylsulfanyl)-1-(methylamino)cyclohexyl]methanol
CID 79640677
methyl 1-(ethylamino)-3-(3-hydroxypropylsulfanyl)cyclohexane-1-carboxylate
CID 79635796
3-cyclobutyloxy-1-(cyclopropylamino)cyclohexane-1-carboxamide
CID 79638102
1-(cyclopropylamino)-3-(2-methoxyethylsulfanyl)cyclohexane-1-carbonitrile
CID 79636237
1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide
CID 79634497
1-(cyclopropylamino)cyclooctane-1-carboxamide
CID 60795922

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxamide (CID 79635892) is 1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxamide is COCCCSC1CCCC(NC2CC2)(C(N)=O)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxamide?
The InChIKey is QZYDEICJRNCTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-18-8-3-9-19-12-4-2-7-14(10-12,13(15)17)16-11-5-6-11/h11-12,16H,2-10H2,1H3,(H2,15,17).
What are the key properties of 1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxamide?
1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxamide has a molecular weight of 286.44 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79635892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).