N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide

C16H26N4O2S — CID 93159855

IUPACN-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide
SMILESCN1CCN([C@@H](CNC(=O)N2CCOCC2)c2cccs2)CC1
InChIInChI=1S/C16H26N4O2S/c1-18-4-6-19(7-5-18)14(15-3-2-12-23-15)13-17-16(21)20-8-10-22-11-9-20/h2-3,12,14H,4-11,13H2,1H3,(H,17,21)/t14-/m0/s1
InChIKeyOEFJYCRMPAVJGG-AWEZNQCLSA-N
MW338.48 g/mol
LogP1.08
Rot. Bonds4

About N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide

N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide (PubChem CID 93159855) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide
PubChem CID93159855
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide
SMILESCN1CCN([C@@H](CNC(=O)N2CCOCC2)c2cccs2)CC1
InChIInChI=1S/C16H26N4O2S/c1-18-4-6-19(7-5-18)14(15-3-2-12-23-15)13-17-16(21)20-8-10-22-11-9-20/h2-3,12,14H,4-11,13H2,1H3,(H,17,21)/t14-/m0/s1
InChIKeyOEFJYCRMPAVJGG-AWEZNQCLSA-N
XLogP1.08
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyrrolidine-1-carboxamide
CID 94494130
4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide
CID 9319675
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]prop-2-enamide
CID 7713761
1-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 65464082
2-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 94670619
1-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 55919738
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide
CID 8798410
3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
CID 120502460
N'-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide
CID 110933601
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
2,6-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 16831434
4-amino-3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide
CID 81084360

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide (CID 93159855) is N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide is CN1CCN([C@@H](CNC(=O)N2CCOCC2)c2cccs2)CC1.
What is the InChIKey of N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide?
The InChIKey is OEFJYCRMPAVJGG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-18-4-6-19(7-5-18)14(15-3-2-12-23-15)13-17-16(21)20-8-10-22-11-9-20/h2-3,12,14H,4-11,13H2,1H3,(H,17,21)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide?
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide is sourced from PubChem (CID 93159855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).