(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide

C12H18N2O2S — CID 120784156

IUPAC(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1cccs1
InChIInChI=1S/C12H18N2O2S/c1-8(11-3-2-6-17-11)14-12(15)10-5-4-9(7-13)16-10/h2-3,6,8-10H,4-5,7,13H2,1H3,(H,14,15)/t8?,9-,10+/m1/s1
InChIKeyVYBGLNTUELRUJP-XVBQNVSMSA-N
MW254.35 g/mol
LogP1.43
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide (PubChem CID 120784156) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide
PubChem CID120784156
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1cccs1
InChIInChI=1S/C12H18N2O2S/c1-8(11-3-2-6-17-11)14-12(15)10-5-4-9(7-13)16-10/h2-3,6,8-10H,4-5,7,13H2,1H3,(H,14,15)/t8?,9-,10+/m1/s1
InChIKeyVYBGLNTUELRUJP-XVBQNVSMSA-N
XLogP1.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 81407924
2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 115284832
(2S,5R)-5-(aminomethyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide;hydrochloride
CID 120784713
(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)oxolane-2-carboxamide
CID 120787356
5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688785
(2S,5R)-5-(aminomethyl)-N-[1-(1-benzothiophen-2-yl)ethyl]oxolane-2-carboxamide
CID 120792492
5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide
CID 81410076
(2S,5R)-5-(aminomethyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide
CID 120784650
(2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120784065
5-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxolane-2-carboxamide
CID 81363772
(2S,5R)-5-(aminomethyl)-N-(3-phenylbutan-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120793755
(2S,5R)-5-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]oxolane-2-carboxamide
CID 120784088

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide (CID 120784156) is (2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide is CC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1cccs1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide?
The InChIKey is VYBGLNTUELRUJP-XVBQNVSMSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8(11-3-2-6-17-11)14-12(15)10-5-4-9(7-13)16-10/h2-3,6,8-10H,4-5,7,13H2,1H3,(H,14,15)/t8?,9-,10+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide is sourced from PubChem (CID 120784156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).