2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide

C13H25N3O2S — CID 79680833

IUPAC2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N1CCOC(C(N)=S)C1
InChIInChI=1S/C13H25N3O2S/c1-4-10(5-2)15-13(17)9(3)16-6-7-18-11(8-16)12(14)19/h9-11H,4-8H2,1-3H3,(H2,14,19)(H,15,17)
InChIKeyDNUGINUJPXJTBX-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.67
Rot. Bonds6

About 2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide

2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide (PubChem CID 79680833) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide
PubChem CID79680833
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N1CCOC(C(N)=S)C1
InChIInChI=1S/C13H25N3O2S/c1-4-10(5-2)15-13(17)9(3)16-6-7-18-11(8-16)12(14)19/h9-11H,4-8H2,1-3H3,(H2,14,19)(H,15,17)
InChIKeyDNUGINUJPXJTBX-UHFFFAOYSA-N
XLogP0.67
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.67
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-propylpropanamide
CID 79681745
2-(2-carbamothioylmorpholin-4-yl)butanoic acid
CID 79681392
4-pentan-2-ylmorpholine-2-carbothioamide
CID 107895727
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032568
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904594
2-(3-amino-5-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide
CID 79993821
2-[2-(aminomethyl)morpholin-4-yl]-N-propan-2-ylpropanamide
CID 61338185
2-(4-hydroxypiperidin-1-yl)-N-pentan-3-ylpropanamide
CID 60719341
(2R)-N-carbamoyl-2-[(2S)-2-ethylmorpholin-4-yl]propanamide
CID 98752361
2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 63763368
4-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]morpholine-2-carboxamide
CID 49451109
2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide
CID 79675024

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide (CID 79680833) is 2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)N1CCOC(C(N)=S)C1.
What is the InChIKey of 2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide?
The InChIKey is DNUGINUJPXJTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-4-10(5-2)15-13(17)9(3)16-6-7-18-11(8-16)12(14)19/h9-11H,4-8H2,1-3H3,(H2,14,19)(H,15,17).
What are the key properties of 2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide?
2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide has a molecular weight of 287.43 g/mol, XLogP of 0.67, 6 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-pentan-3-ylpropanamide is sourced from PubChem (CID 79680833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).