N-(3-methoxypropyl)-3-methylthiomorpholine-4-carbothioamide

C10H20N2OS2 — CID 115641143

IUPACN-(3-methoxypropyl)-3-methylthiomorpholine-4-carbothioamide
SMILESCOCCCNC(=S)N1CCSCC1C
InChIInChI=1S/C10H20N2OS2/c1-9-8-15-7-5-12(9)10(14)11-4-3-6-13-2/h9H,3-8H2,1-2H3,(H,11,14)
InChIKeyIWCFCGGNBZMCJF-UHFFFAOYSA-N
MW248.42 g/mol
LogP1.33
Rot. Bonds4

About N-(3-methoxypropyl)-3-methylthiomorpholine-4-carbothioamide

N-(3-methoxypropyl)-3-methylthiomorpholine-4-carbothioamide (PubChem CID 115641143) has the molecular formula C10H20N2OS2 and a molecular weight of 248.42 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-methylthiomorpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-methylthiomorpholine-4-carbothioamide
PubChem CID115641143
Molecular FormulaC10H20N2OS2
Molecular Weight248.42 g/mol
Exact Mass248.10
IUPAC NameN-(3-methoxypropyl)-3-methylthiomorpholine-4-carbothioamide
SMILESCOCCCNC(=S)N1CCSCC1C
InChIInChI=1S/C10H20N2OS2/c1-9-8-15-7-5-12(9)10(14)11-4-3-6-13-2/h9H,3-8H2,1-2H3,(H,11,14)
InChIKeyIWCFCGGNBZMCJF-UHFFFAOYSA-N
XLogP1.33
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(2-methylpropyl)thiomorpholine-4-carbothioamide
CID 115641145
3-ethylsulfonyl-N-(2-methoxyethyl)thiomorpholine-4-carbothioamide
CID 116509286
N-(3-methoxypropyl)-2-methylthiomorpholine-4-carbothioamide
CID 115611482
1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea
CID 103659104
N-(3-methoxypropyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 4767625
(2R,6R)-N-(3-methoxypropyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 51389640
4-[2-(3-methoxypropylamino)-2-oxoethyl]thiomorpholine-3-carboxylic acid
CID 82905514
4-ethyl-N-(3-methoxypropyl)piperidine-1-carbothioamide
CID 115587885
N-(2-methoxyethyl)-1,4-thiazepane-4-carbothioamide
CID 115587666
4-tert-butyl-N-(3-methoxypropyl)piperidine-1-carbothioamide
CID 113236851
N-(3-ethoxypropyl)-3-methylmorpholine-4-carbothioamide
CID 115579500
(3R)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiomorpholine-4-carboxamide
CID 129397028

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-methylthiomorpholine-4-carbothioamide?
The IUPAC name of N-(3-methoxypropyl)-3-methylthiomorpholine-4-carbothioamide (CID 115641143) is N-(3-methoxypropyl)-3-methylthiomorpholine-4-carbothioamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-methylthiomorpholine-4-carbothioamide?
The canonical SMILES for N-(3-methoxypropyl)-3-methylthiomorpholine-4-carbothioamide is COCCCNC(=S)N1CCSCC1C.
What is the InChIKey of N-(3-methoxypropyl)-3-methylthiomorpholine-4-carbothioamide?
The InChIKey is IWCFCGGNBZMCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS2/c1-9-8-15-7-5-12(9)10(14)11-4-3-6-13-2/h9H,3-8H2,1-2H3,(H,11,14).
What are the key properties of N-(3-methoxypropyl)-3-methylthiomorpholine-4-carbothioamide?
N-(3-methoxypropyl)-3-methylthiomorpholine-4-carbothioamide has a molecular weight of 248.42 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-methylthiomorpholine-4-carbothioamide is sourced from PubChem (CID 115641143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).