(2S,5R)-5-(aminomethyl)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide

C19H24N2O2S — CID 120793910

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide
SMILESCc1ccsc1C(Cc1ccccc1)NC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C19H24N2O2S/c1-13-9-10-24-18(13)16(11-14-5-3-2-4-6-14)21-19(22)17-8-7-15(12-20)23-17/h2-6,9-10,15-17H,7-8,11-12,20H2,1H3,(H,21,22)/t15-,16?,17+/m1/s1
InChIKeyXKAOHDNEEXRVFZ-SKQWJGTPSA-N
MW344.48 g/mol
LogP2.96
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide (PubChem CID 120793910) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide
PubChem CID120793910
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide
SMILESCc1ccsc1C(Cc1ccccc1)NC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C19H24N2O2S/c1-13-9-10-24-18(13)16(11-14-5-3-2-4-6-14)21-19(22)17-8-7-15(12-20)23-17/h2-6,9-10,15-17H,7-8,11-12,20H2,1H3,(H,21,22)/t15-,16?,17+/m1/s1
InChIKeyXKAOHDNEEXRVFZ-SKQWJGTPSA-N
XLogP2.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide (CID 120793910) is (2S,5R)-5-(aminomethyl)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide is Cc1ccsc1C(Cc1ccccc1)NC(=O)[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide?
The InChIKey is XKAOHDNEEXRVFZ-SKQWJGTPSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13-9-10-24-18(13)16(11-14-5-3-2-4-6-14)21-19(22)17-8-7-15(12-20)23-17/h2-6,9-10,15-17H,7-8,11-12,20H2,1H3,(H,21,22)/t15-,16?,17+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 2.96, 6 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-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide is sourced from PubChem (CID 120793910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).