3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide

C16H29N3O3S — CID 53383077

IUPAC3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1(C)CSCC(=O)N1CCCN1CCOCC1
InChIInChI=1S/C16H29N3O3S/c1-13(2)17-15(21)16(3)12-23-11-14(20)19(16)6-4-5-18-7-9-22-10-8-18/h13H,4-12H2,1-3H3,(H,17,21)
InChIKeyBCYRMJJNCMNORY-UHFFFAOYSA-N
MW343.49 g/mol
LogP0.57
Rot. Bonds6

About 3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide

3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide (PubChem CID 53383077) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is 3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
PubChem CID53383077
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC Name3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1(C)CSCC(=O)N1CCCN1CCOCC1
InChIInChI=1S/C16H29N3O3S/c1-13(2)17-15(21)16(3)12-23-11-14(20)19(16)6-4-5-18-7-9-22-10-8-18/h13H,4-12H2,1-3H3,(H,17,21)
InChIKeyBCYRMJJNCMNORY-UHFFFAOYSA-N
XLogP0.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Me-Cys(1)-morpholide.Me-Cys(1)-morpholide
CID 76684343
4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383072
2,2-Dimethyl-5-(4-methylpiperazine-1-carbonyl)thiomorpholin-3-one
CID 57781696
2-(3,3,5,5-Tetramethyl-2-oxopiperazin-1-yl)ethyl 3-[3-oxo-3-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethoxy]propyl]sulfanylpropanoate
CID 59109299
(2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one
CID 69154222
3,4-Dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
CID 141027124
6-(2-Morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
CID 141027130
4-(2-Morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
CID 141027143
2,2-Dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
CID 152661590
(2S)-2-amino-3-methyl-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]butan-1-one
CID 169318530
morpholin-4-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone
CID 169318767
1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]butan-1-one
CID 169645468

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The IUPAC name of 3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide (CID 53383077) is 3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide.
What is the SMILES notation for 3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The canonical SMILES for 3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide is CC(C)NC(=O)C1(C)CSCC(=O)N1CCCN1CCOCC1.
What is the InChIKey of 3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The InChIKey is BCYRMJJNCMNORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c1-13(2)17-15(21)16(3)12-23-11-14(20)19(16)6-4-5-18-7-9-22-10-8-18/h13H,4-12H2,1-3H3,(H,17,21).
What are the key properties of 3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide has a molecular weight of 343.49 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide is sourced from PubChem (CID 53383077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).