(1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine

C15H24N2OS2 — CID 97230647

IUPAC(1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine
SMILESC[C@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccsc1
InChIInChI=1S/C15H24N2OS2/c1-13(14-2-8-19-10-14)16-11-15(3-9-20-12-15)17-4-6-18-7-5-17/h2,8,10,13,16H,3-7,9,11-12H2,1H3/t13-,15+/m0/s1
InChIKeyNAELKNJHMIUNSG-DZGCQCFKSA-N
MW312.50 g/mol
LogP2.61
Rot. Bonds5

About (1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine

(1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine (PubChem CID 97230647) has the molecular formula C15H24N2OS2 and a molecular weight of 312.50 g/mol. Its IUPAC name is (1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine
PubChem CID97230647
Molecular FormulaC15H24N2OS2
Molecular Weight312.50 g/mol
Exact Mass312.13
IUPAC Name(1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine
SMILESC[C@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccsc1
InChIInChI=1S/C15H24N2OS2/c1-13(14-2-8-19-10-14)16-11-15(3-9-20-12-15)17-4-6-18-7-5-17/h2,8,10,13,16H,3-7,9,11-12H2,1H3/t13-,15+/m0/s1
InChIKeyNAELKNJHMIUNSG-DZGCQCFKSA-N
XLogP2.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine with MolForge

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Related Compounds

(1S)-1-(3,5-difluorophenyl)-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]ethanamine
CID 97230641
N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 115893048
4-bromo-2-[(1S)-1-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methylamino]ethyl]phenol
CID 97350588
4-bromo-2-[1-[(3-morpholin-4-ylthiolan-3-yl)methylamino]ethyl]phenol
CID 75454265
1-ethyl-2-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine
CID 111702965
4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol
CID 81130842
4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine
CID 78871065
(1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 97107019
2-methyl-1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110947889
2-methyl-2-morpholin-4-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62091009
3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
CID 115896443
1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
CID 94028637

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine?
The IUPAC name of (1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine (CID 97230647) is (1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for (1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for (1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine is C[C@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccsc1.
What is the InChIKey of (1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine?
The InChIKey is NAELKNJHMIUNSG-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H24N2OS2/c1-13(14-2-8-19-10-14)16-11-15(3-9-20-12-15)17-4-6-18-7-5-17/h2,8,10,13,16H,3-7,9,11-12H2,1H3/t13-,15+/m0/s1.
What are the key properties of (1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine?
(1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine has a molecular weight of 312.50 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 97230647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).