3-methyl-N-(2-methylpropyl)thiomorpholine-4-carbothioamide

C10H20N2S2 — CID 115641145

IUPAC3-methyl-N-(2-methylpropyl)thiomorpholine-4-carbothioamide
SMILESCC(C)CNC(=S)N1CCSCC1C
InChIInChI=1S/C10H20N2S2/c1-8(2)6-11-10(13)12-4-5-14-7-9(12)3/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyIWQXKAGIXSCKQV-UHFFFAOYSA-N
MW232.42 g/mol
LogP1.95
Rot. Bonds2

About 3-methyl-N-(2-methylpropyl)thiomorpholine-4-carbothioamide

3-methyl-N-(2-methylpropyl)thiomorpholine-4-carbothioamide (PubChem CID 115641145) has the molecular formula C10H20N2S2 and a molecular weight of 232.42 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)thiomorpholine-4-carbothioamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)thiomorpholine-4-carbothioamide
PubChem CID115641145
Molecular FormulaC10H20N2S2
Molecular Weight232.42 g/mol
Exact Mass232.11
IUPAC Name3-methyl-N-(2-methylpropyl)thiomorpholine-4-carbothioamide
SMILESCC(C)CNC(=S)N1CCSCC1C
InChIInChI=1S/C10H20N2S2/c1-8(2)6-11-10(13)12-4-5-14-7-9(12)3/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyIWQXKAGIXSCKQV-UHFFFAOYSA-N
XLogP1.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide
CID 17276176
N-(3-methoxypropyl)-3-methylthiomorpholine-4-carbothioamide
CID 115641143
3-methyl-N-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carbothioamide
CID 102883053
N-(2-methylpropyl)-1,4-thiazepane-4-carbothioamide
CID 115587662
3,4-dimethyl-N-(2-methylpropyl)pyrrolidine-1-carbothioamide
CID 115662509
3,4-dimethyl-N-(2-methylpropyl)piperazine-1-carbothioamide
CID 116508593
2-methyl-N-(2-methylpropyl)-3-oxopiperazine-1-carbothioamide
CID 116508580
3-methyl-1-(3-methylthiomorpholin-4-yl)-2-sulfanylbutan-1-one
CID 107030389
1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea
CID 103709712
3-methoxy-4-[(3-methylthiomorpholine-4-carbonyl)amino]butanoic acid
CID 103159466
(E)-1-(3-methylthiomorpholin-4-yl)pent-2-en-1-one
CID 131234104
3-(dimethylamino)-N-(2-methylpropyl)pyrrolidine-1-carbothioamide
CID 115609923

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)thiomorpholine-4-carbothioamide?
The IUPAC name of 3-methyl-N-(2-methylpropyl)thiomorpholine-4-carbothioamide (CID 115641145) is 3-methyl-N-(2-methylpropyl)thiomorpholine-4-carbothioamide.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)thiomorpholine-4-carbothioamide?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)thiomorpholine-4-carbothioamide is CC(C)CNC(=S)N1CCSCC1C.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)thiomorpholine-4-carbothioamide?
The InChIKey is IWQXKAGIXSCKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S2/c1-8(2)6-11-10(13)12-4-5-14-7-9(12)3/h8-9H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 3-methyl-N-(2-methylpropyl)thiomorpholine-4-carbothioamide?
3-methyl-N-(2-methylpropyl)thiomorpholine-4-carbothioamide has a molecular weight of 232.42 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)thiomorpholine-4-carbothioamide is sourced from PubChem (CID 115641145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).