2-(2-carbamothioylmorpholin-4-yl)-N-propylpropanamide

C11H21N3O2S — CID 79681745

IUPAC2-(2-carbamothioylmorpholin-4-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCOC(C(N)=S)C1
InChIInChI=1S/C11H21N3O2S/c1-3-4-13-11(15)8(2)14-5-6-16-9(7-14)10(12)17/h8-9H,3-7H2,1-2H3,(H2,12,17)(H,13,15)
InChIKeySCJXKLHDINIHEW-UHFFFAOYSA-N
MW259.38 g/mol
LogP-0.11
Rot. Bonds5

About 2-(2-carbamothioylmorpholin-4-yl)-N-propylpropanamide

2-(2-carbamothioylmorpholin-4-yl)-N-propylpropanamide (PubChem CID 79681745) has the molecular formula C11H21N3O2S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-(2-carbamothioylmorpholin-4-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(2-carbamothioylmorpholin-4-yl)-N-propylpropanamide
PubChem CID79681745
Molecular FormulaC11H21N3O2S
Molecular Weight259.38 g/mol
Exact Mass259.14
IUPAC Name2-(2-carbamothioylmorpholin-4-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCOC(C(N)=S)C1
InChIInChI=1S/C11H21N3O2S/c1-3-4-13-11(15)8(2)14-5-6-16-9(7-14)10(12)17/h8-9H,3-7H2,1-2H3,(H2,12,17)(H,13,15)
InChIKeySCJXKLHDINIHEW-UHFFFAOYSA-N
XLogP-0.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide
CID 79680833
4-pentan-2-ylmorpholine-2-carbothioamide
CID 107895727
2-(2-carbamothioylmorpholin-4-yl)butanoic acid
CID 79681392
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 112630167
4-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]morpholine-2-carboxamide
CID 49451109
2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide
CID 79675024
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 114802599
(2R)-N-carbamoyl-2-[(2S)-2-ethylmorpholin-4-yl]propanamide
CID 98752361
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-propylpropanamide
CID 80553139
4-nonylmorpholine-2-carbothioamide
CID 79681304
4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]morpholine-2-carboxamide
CID 49452444

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylmorpholin-4-yl)-N-propylpropanamide?
The IUPAC name of 2-(2-carbamothioylmorpholin-4-yl)-N-propylpropanamide (CID 79681745) is 2-(2-carbamothioylmorpholin-4-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(2-carbamothioylmorpholin-4-yl)-N-propylpropanamide?
The canonical SMILES for 2-(2-carbamothioylmorpholin-4-yl)-N-propylpropanamide is CCCNC(=O)C(C)N1CCOC(C(N)=S)C1.
What is the InChIKey of 2-(2-carbamothioylmorpholin-4-yl)-N-propylpropanamide?
The InChIKey is SCJXKLHDINIHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-3-4-13-11(15)8(2)14-5-6-16-9(7-14)10(12)17/h8-9H,3-7H2,1-2H3,(H2,12,17)(H,13,15).
What are the key properties of 2-(2-carbamothioylmorpholin-4-yl)-N-propylpropanamide?
2-(2-carbamothioylmorpholin-4-yl)-N-propylpropanamide has a molecular weight of 259.38 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioylmorpholin-4-yl)-N-propylpropanamide is sourced from PubChem (CID 79681745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).