2-methyl-N-prop-2-enylmorpholine-4-carbothioamide

C9H16N2OS — CID 130778386

IUPAC2-methyl-N-prop-2-enylmorpholine-4-carbothioamide
SMILESC=CCNC(=S)N1CCOC(C)C1
InChIInChI=1S/C9H16N2OS/c1-3-4-10-9(13)11-5-6-12-8(2)7-11/h3,8H,1,4-7H2,2H3,(H,10,13)
InChIKeyNWUBLOQOMGZXKI-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.77
Rot. Bonds2

About 2-methyl-N-prop-2-enylmorpholine-4-carbothioamide

2-methyl-N-prop-2-enylmorpholine-4-carbothioamide (PubChem CID 130778386) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enylmorpholine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-enylmorpholine-4-carbothioamide
PubChem CID130778386
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-methyl-N-prop-2-enylmorpholine-4-carbothioamide
SMILESC=CCNC(=S)N1CCOC(C)C1
InChIInChI=1S/C9H16N2OS/c1-3-4-10-9(13)11-5-6-12-8(2)7-11/h3,8H,1,4-7H2,2H3,(H,10,13)
InChIKeyNWUBLOQOMGZXKI-UHFFFAOYSA-N
XLogP0.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-N,4-N-bis(prop-2-enyl)piperazine-1,4-dicarbothioamide
CID 20788463
(3R)-3-methyl-4-(4-methylphenyl)-N-prop-2-enylpiperazine-1-carbothioamide
CID 51390056
3-methyl-N-prop-2-enylpiperidine-1-carboxamide
CID 108987828
2-(ethylamino)-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one
CID 62833188
(2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide
CID 51529124
(2S)-2-methylmorpholine-4-carbonyl chloride
CID 151798222
N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide
CID 94178807
ethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate
CID 60893749
2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 65218037
1-(2-methylmorpholin-4-yl)octan-1-one
CID 146665487
N-cyclopropyl-2-methylmorpholine-4-carboxamide
CID 110310077
(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 167135155

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enylmorpholine-4-carbothioamide?
The IUPAC name of 2-methyl-N-prop-2-enylmorpholine-4-carbothioamide (CID 130778386) is 2-methyl-N-prop-2-enylmorpholine-4-carbothioamide.
What is the SMILES notation for 2-methyl-N-prop-2-enylmorpholine-4-carbothioamide?
The canonical SMILES for 2-methyl-N-prop-2-enylmorpholine-4-carbothioamide is C=CCNC(=S)N1CCOC(C)C1.
What is the InChIKey of 2-methyl-N-prop-2-enylmorpholine-4-carbothioamide?
The InChIKey is NWUBLOQOMGZXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-4-10-9(13)11-5-6-12-8(2)7-11/h3,8H,1,4-7H2,2H3,(H,10,13).
What are the key properties of 2-methyl-N-prop-2-enylmorpholine-4-carbothioamide?
2-methyl-N-prop-2-enylmorpholine-4-carbothioamide has a molecular weight of 200.31 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enylmorpholine-4-carbothioamide is sourced from PubChem (CID 130778386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).