4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile

C18H29N3OS — CID 98768142

IUPAC4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile
SMILESC[C@@H]1CN([C@H](CNCC(C)(C)CCC#N)c2cccs2)CCO1
InChIInChI=1S/C18H29N3OS/c1-15-13-21(9-10-22-15)16(17-6-4-11-23-17)12-20-14-18(2,3)7-5-8-19/h4,6,11,15-16,20H,5,7,9-10,12-14H2,1-3H3/t15-,16-/m1/s1
InChIKeyLJMSPMVVDTWZSA-HZPDHXFCSA-N
MW335.52 g/mol
LogP3.43
Rot. Bonds8

About 4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile

4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile (PubChem CID 98768142) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is 4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile
PubChem CID98768142
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC Name4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile
SMILESC[C@@H]1CN([C@H](CNCC(C)(C)CCC#N)c2cccs2)CCO1
InChIInChI=1S/C18H29N3OS/c1-15-13-21(9-10-22-15)16(17-6-4-11-23-17)12-20-14-18(2,3)7-5-8-19/h4,6,11,15-16,20H,5,7,9-10,12-14H2,1-3H3/t15-,16-/m1/s1
InChIKeyLJMSPMVVDTWZSA-HZPDHXFCSA-N
XLogP3.43
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile with MolForge

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Related Compounds

6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile
CID 122132155
N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine
CID 98774946
(2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 95774005
2-(2-methylmorpholin-4-yl)-N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylethanamine
CID 119155808
(2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 95767303
4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine
CID 95773118
3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide
CID 97058927
1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 109419508
2-methyl-1-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111966061
1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111966252
3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine
CID 119160582
2-methyl-1-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-(2-methylsulfanylethyl)guanidine
CID 111966339

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile?
The IUPAC name of 4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile (CID 98768142) is 4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile.
What is the SMILES notation for 4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile?
The canonical SMILES for 4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile is C[C@@H]1CN([C@H](CNCC(C)(C)CCC#N)c2cccs2)CCO1.
What is the InChIKey of 4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile?
The InChIKey is LJMSPMVVDTWZSA-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-15-13-21(9-10-22-15)16(17-6-4-11-23-17)12-20-14-18(2,3)7-5-8-19/h4,6,11,15-16,20H,5,7,9-10,12-14H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of 4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile?
4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile has a molecular weight of 335.52 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile is sourced from PubChem (CID 98768142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).