N-[4-(morpholin-4-ylmethyl)-1-sulfanylpiperidin-4-yl]propanamide

C13H25N3O2S — CID 134515016

IUPACN-[4-(morpholin-4-ylmethyl)-1-sulfanylpiperidin-4-yl]propanamide
SMILESCCC(=O)NC1(CN2CCOCC2)CCN(S)CC1
InChIInChI=1S/C13H25N3O2S/c1-2-12(17)14-13(3-5-16(19)6-4-13)11-15-7-9-18-10-8-15/h19H,2-11H2,1H3,(H,14,17)
InChIKeyYGBNCZQQCDOHIA-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.52
Rot. Bonds4

About N-[4-(morpholin-4-ylmethyl)-1-sulfanylpiperidin-4-yl]propanamide

N-[4-(morpholin-4-ylmethyl)-1-sulfanylpiperidin-4-yl]propanamide (PubChem CID 134515016) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)-1-sulfanylpiperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)-1-sulfanylpiperidin-4-yl]propanamide
PubChem CID134515016
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN-[4-(morpholin-4-ylmethyl)-1-sulfanylpiperidin-4-yl]propanamide
SMILESCCC(=O)NC1(CN2CCOCC2)CCN(S)CC1
InChIInChI=1S/C13H25N3O2S/c1-2-12(17)14-13(3-5-16(19)6-4-13)11-15-7-9-18-10-8-15/h19H,2-11H2,1H3,(H,14,17)
InChIKeyYGBNCZQQCDOHIA-UHFFFAOYSA-N
XLogP0.52
TPSA44.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[4-(morpholin-4-ylmethyl)-1-sulfanylpiperidin-4-yl]propanamide 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

N-[1-(disulfanyl)-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide
CID 134557478
1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid
CID 68756904
1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclohexyl]urea
CID 46989504
N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide
CID 118785028
ethyl 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylate
CID 68758464
2-(1-aminocyclobutyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 79852064
2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane
CID 142326806
3-(1-morpholin-4-ylpropan-2-ylamino)-N-propan-2-ylpropanamide
CID 55098146
1-(morpholin-4-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 146476199
4-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 79201322
4-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 79201323
N-(1,4-dimethylpiperidin-4-yl)-2-morpholin-4-ylacetamide
CID 142326973

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)-1-sulfanylpiperidin-4-yl]propanamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)-1-sulfanylpiperidin-4-yl]propanamide (CID 134515016) is N-[4-(morpholin-4-ylmethyl)-1-sulfanylpiperidin-4-yl]propanamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)-1-sulfanylpiperidin-4-yl]propanamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)-1-sulfanylpiperidin-4-yl]propanamide is CCC(=O)NC1(CN2CCOCC2)CCN(S)CC1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)-1-sulfanylpiperidin-4-yl]propanamide?
The InChIKey is YGBNCZQQCDOHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-2-12(17)14-13(3-5-16(19)6-4-13)11-15-7-9-18-10-8-15/h19H,2-11H2,1H3,(H,14,17).
What are the key properties of N-[4-(morpholin-4-ylmethyl)-1-sulfanylpiperidin-4-yl]propanamide?
N-[4-(morpholin-4-ylmethyl)-1-sulfanylpiperidin-4-yl]propanamide has a molecular weight of 287.43 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)-1-sulfanylpiperidin-4-yl]propanamide is sourced from PubChem (CID 134515016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).