4-pentan-2-ylmorpholine-2-carbothioamide

C10H20N2OS — CID 107895727

IUPAC4-pentan-2-ylmorpholine-2-carbothioamide
SMILESCCCC(C)N1CCOC(C(N)=S)C1
InChIInChI=1S/C10H20N2OS/c1-3-4-8(2)12-5-6-13-9(7-12)10(11)14/h8-9H,3-7H2,1-2H3,(H2,11,14)
InChIKeyYCWJVUSRBGZFQG-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.16
Rot. Bonds4

About 4-pentan-2-ylmorpholine-2-carbothioamide

4-pentan-2-ylmorpholine-2-carbothioamide (PubChem CID 107895727) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 4-pentan-2-ylmorpholine-2-carbothioamide.

Molecular Properties

Compound Name4-pentan-2-ylmorpholine-2-carbothioamide
PubChem CID107895727
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name4-pentan-2-ylmorpholine-2-carbothioamide
SMILESCCCC(C)N1CCOC(C(N)=S)C1
InChIInChI=1S/C10H20N2OS/c1-3-4-8(2)12-5-6-13-9(7-12)10(11)14/h8-9H,3-7H2,1-2H3,(H2,11,14)
InChIKeyYCWJVUSRBGZFQG-UHFFFAOYSA-N
XLogP1.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-carbamothioylmorpholin-4-yl)-N-propylpropanamide
CID 79681745
2-(2-carbamothioylmorpholin-4-yl)butanoic acid
CID 79681392
2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide
CID 79680833
4-nonylmorpholine-2-carbothioamide
CID 79681304
2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide
CID 79675024
methyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate
CID 115533856
4-(4-methylpentyl)morpholine-2-carbothioamide
CID 83156168
4-(1-methoxypropan-2-yl)morpholine-2-carboximidamide
CID 79675492
4-(4-methylpentanoyl)morpholine-2-carbothioamide
CID 79674672
2-(2-carbamothioylmorpholin-4-yl)acetamide
CID 79680931
4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide
CID 79681028
(2S)-4-[(2R)-4-phenylsulfanylbutan-2-yl]morpholine-2-carboxamide
CID 97236505

Frequently Asked Questions

What is the IUPAC name of 4-pentan-2-ylmorpholine-2-carbothioamide?
The IUPAC name of 4-pentan-2-ylmorpholine-2-carbothioamide (CID 107895727) is 4-pentan-2-ylmorpholine-2-carbothioamide.
What is the SMILES notation for 4-pentan-2-ylmorpholine-2-carbothioamide?
The canonical SMILES for 4-pentan-2-ylmorpholine-2-carbothioamide is CCCC(C)N1CCOC(C(N)=S)C1.
What is the InChIKey of 4-pentan-2-ylmorpholine-2-carbothioamide?
The InChIKey is YCWJVUSRBGZFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-4-8(2)12-5-6-13-9(7-12)10(11)14/h8-9H,3-7H2,1-2H3,(H2,11,14).
What are the key properties of 4-pentan-2-ylmorpholine-2-carbothioamide?
4-pentan-2-ylmorpholine-2-carbothioamide has a molecular weight of 216.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentan-2-ylmorpholine-2-carbothioamide is sourced from PubChem (CID 107895727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).