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

C16H18N2O2S — CID 120782509

IUPAC(2S,5R)-5-(aminomethyl)-N-(2-thiophen-2-ylphenyl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2ccccc2-c2cccs2)O1
InChIInChI=1S/C16H18N2O2S/c17-10-11-7-8-14(20-11)16(19)18-13-5-2-1-4-12(13)15-6-3-9-21-15/h1-6,9,11,14H,7-8,10,17H2,(H,18,19)/t11-,14+/m1/s1
InChIKeyLJWWTFORQKVMLU-RISCZKNCSA-N
MW302.40 g/mol
LogP2.86
Rot. Bonds4

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

(2S,5R)-5-(aminomethyl)-N-(2-thiophen-2-ylphenyl)oxolane-2-carboxamide (PubChem CID 120782509) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(2-thiophen-2-ylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(2-thiophen-2-ylphenyl)oxolane-2-carboxamide
PubChem CID120782509
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(2-thiophen-2-ylphenyl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2ccccc2-c2cccs2)O1
InChIInChI=1S/C16H18N2O2S/c17-10-11-7-8-14(20-11)16(19)18-13-5-2-1-4-12(13)15-6-3-9-21-15/h1-6,9,11,14H,7-8,10,17H2,(H,18,19)/t11-,14+/m1/s1
InChIKeyLJWWTFORQKVMLU-RISCZKNCSA-N
XLogP2.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide
CID 120801756
(2S,5R)-5-(aminomethyl)-N-[2-(1,3-benzothiazol-2-yl)phenyl]oxolane-2-carboxamide
CID 120784174
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-[2-(dimethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 120787008
(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide
CID 120784156
5-(aminomethyl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 81407924
(2S,5R)-5-(aminomethyl)-N-(3-benzamido-2-methylphenyl)oxolane-2-carboxamide
CID 120789036
(2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide
CID 120783910
2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 115284832
(2S,5R)-5-(aminomethyl)-N-(1-methyl-2-oxo-3-pyridinyl)oxolane-2-carboxamide
CID 120793010
(2S,5R)-5-(aminomethyl)-N-[2-(2-chlorophenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120784929
(2S,5R)-5-(aminomethyl)-N-[2-[(4-tert-butylbenzoyl)amino]phenyl]oxolane-2-carboxamide;hydrochloride
CID 120786305

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-thiophen-2-ylphenyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-thiophen-2-ylphenyl)oxolane-2-carboxamide (CID 120782509) is (2S,5R)-5-(aminomethyl)-N-(2-thiophen-2-ylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(2-thiophen-2-ylphenyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(2-thiophen-2-ylphenyl)oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)Nc2ccccc2-c2cccs2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(2-thiophen-2-ylphenyl)oxolane-2-carboxamide?
The InChIKey is LJWWTFORQKVMLU-RISCZKNCSA-N. The full InChI is InChI=1S/C16H18N2O2S/c17-10-11-7-8-14(20-11)16(19)18-13-5-2-1-4-12(13)15-6-3-9-21-15/h1-6,9,11,14H,7-8,10,17H2,(H,18,19)/t11-,14+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(2-thiophen-2-ylphenyl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(2-thiophen-2-ylphenyl)oxolane-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.86, 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-(2-thiophen-2-ylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 120782509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).