(3S)-N-[(3-methylthiophen-2-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidin-3-amine

C17H29N3OS — CID 164633855

IUPAC(3S)-N-[(3-methylthiophen-2-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidin-3-amine
SMILESCc1ccsc1CN(CCN1CCOCC1)[C@H]1CCCNC1
InChIInChI=1S/C17H29N3OS/c1-15-4-12-22-17(15)14-20(16-3-2-5-18-13-16)7-6-19-8-10-21-11-9-19/h4,12,16,18H,2-3,5-11,13-14H2,1H3/t16-/m0/s1
InChIKeyDOLHVFRGUSOZEC-INIZCTEOSA-N
MW323.51 g/mol
LogP1.94
Rot. Bonds6

About (3S)-N-[(3-methylthiophen-2-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidin-3-amine

(3S)-N-[(3-methylthiophen-2-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidin-3-amine (PubChem CID 164633855) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is (3S)-N-[(3-methylthiophen-2-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(3-methylthiophen-2-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidin-3-amine
PubChem CID164633855
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name(3S)-N-[(3-methylthiophen-2-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidin-3-amine
SMILESCc1ccsc1CN(CCN1CCOCC1)[C@H]1CCCNC1
InChIInChI=1S/C17H29N3OS/c1-15-4-12-22-17(15)14-20(16-3-2-5-18-13-16)7-6-19-8-10-21-11-9-19/h4,12,16,18H,2-3,5-11,13-14H2,1H3/t16-/m0/s1
InChIKeyDOLHVFRGUSOZEC-INIZCTEOSA-N
XLogP1.94
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[(3-methylthiophen-2-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidin-3-amine 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

3-methyl-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)butanamide
CID 16194567
N-(1-methyl-2-morpholin-4-yl-2-thien-2-ylethyl)-2-oxo-2-piperidin-1-ylacetamide
CID 20866332
2,2-dimethyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)propanamide
CID 16194562
2-Morpholin-4-yl-2-thiophen-2-yl-ethylamine
CID 3815310
[2-(4-Morpholinyl)ethyl](2-thienylmethyl)amine dihydrochloride
CID 9550544
[3-(Morpholin-4-yl)propyl](thiophen-2-ylmethyl)amine hydrochloride
CID 9551938
1-Cyclohexyl-3-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)thiourea
CID 16195028
(2-Morpholin-4-ylethyl)(2-thienylmethyl)amine
CID 1817903
2-(5-Methylthiophen-2-yl)-2-(morpholin-4-yl)ethan-1-amine
CID 43146823
N-[2-(4-morpholinyl)-2-(2-thienyl)ethyl]propanamide
CID 2998106
N-(1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)-2-morpholino-2-oxoacetamide
CID 20866369
1-(1-Morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 47218856

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3-methylthiophen-2-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidin-3-amine?
The IUPAC name of (3S)-N-[(3-methylthiophen-2-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidin-3-amine (CID 164633855) is (3S)-N-[(3-methylthiophen-2-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidin-3-amine.
What is the SMILES notation for (3S)-N-[(3-methylthiophen-2-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidin-3-amine?
The canonical SMILES for (3S)-N-[(3-methylthiophen-2-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidin-3-amine is Cc1ccsc1CN(CCN1CCOCC1)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[(3-methylthiophen-2-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidin-3-amine?
The InChIKey is DOLHVFRGUSOZEC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-15-4-12-22-17(15)14-20(16-3-2-5-18-13-16)7-6-19-8-10-21-11-9-19/h4,12,16,18H,2-3,5-11,13-14H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-N-[(3-methylthiophen-2-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidin-3-amine?
(3S)-N-[(3-methylthiophen-2-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidin-3-amine has a molecular weight of 323.51 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3-methylthiophen-2-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidin-3-amine is sourced from PubChem (CID 164633855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).