N-(2-methylprop-2-enyl)morpholine-4-carbothioamide

C9H16N2OS — CID 15113027

IUPACN-(2-methylprop-2-enyl)morpholine-4-carbothioamide
SMILESC=C(C)CNC(=S)N1CCOCC1
InChIInChI=1S/C9H16N2OS/c1-8(2)7-10-9(13)11-3-5-12-6-4-11/h1,3-7H2,2H3,(H,10,13)
InChIKeyURAVPBJAUFHZHM-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.77
Rot. Bonds2

About N-(2-methylprop-2-enyl)morpholine-4-carbothioamide

N-(2-methylprop-2-enyl)morpholine-4-carbothioamide (PubChem CID 15113027) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)morpholine-4-carbothioamide
PubChem CID15113027
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC NameN-(2-methylprop-2-enyl)morpholine-4-carbothioamide
SMILESC=C(C)CNC(=S)N1CCOCC1
InChIInChI=1S/C9H16N2OS/c1-8(2)7-10-9(13)11-3-5-12-6-4-11/h1,3-7H2,2H3,(H,10,13)
InChIKeyURAVPBJAUFHZHM-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

CID 1896320
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CID 19653716
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CID 5369282
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CID 17597807
CID 17597807
CID 87847320
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CID 88641236
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CID 145736710
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CID 3421417
CID 3421417
CID 3557639
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CID 3643594
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CID 16554080
CID 16554080

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)morpholine-4-carbothioamide?
The IUPAC name of N-(2-methylprop-2-enyl)morpholine-4-carbothioamide (CID 15113027) is N-(2-methylprop-2-enyl)morpholine-4-carbothioamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)morpholine-4-carbothioamide?
The canonical SMILES for N-(2-methylprop-2-enyl)morpholine-4-carbothioamide is C=C(C)CNC(=S)N1CCOCC1.
What is the InChIKey of N-(2-methylprop-2-enyl)morpholine-4-carbothioamide?
The InChIKey is URAVPBJAUFHZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-8(2)7-10-9(13)11-3-5-12-6-4-11/h1,3-7H2,2H3,(H,10,13).
What are the key properties of N-(2-methylprop-2-enyl)morpholine-4-carbothioamide?
N-(2-methylprop-2-enyl)morpholine-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 N-(2-methylprop-2-enyl)morpholine-4-carbothioamide is sourced from PubChem (CID 15113027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).