N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]acetamide

C12H18N2O3S — CID 86769001

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1OC[C@@H](NCc2cccs2)[C@@H]1O
InChIInChI=1S/C12H18N2O3S/c1-8(15)13-6-11-12(16)10(7-17-11)14-5-9-3-2-4-18-9/h2-4,10-12,14,16H,5-7H2,1H3,(H,13,15)/t10-,11-,12+/m1/s1
InChIKeyKZGPKEQMMXJLRW-UTUOFQBUSA-N
MW270.35 g/mol
LogP0.10
Rot. Bonds5

About N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]acetamide

N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]acetamide (PubChem CID 86769001) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]acetamide
PubChem CID86769001
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1OC[C@@H](NCc2cccs2)[C@@H]1O
InChIInChI=1S/C12H18N2O3S/c1-8(15)13-6-11-12(16)10(7-17-11)14-5-9-3-2-4-18-9/h2-4,10-12,14,16H,5-7H2,1H3,(H,13,15)/t10-,11-,12+/m1/s1
InChIKeyKZGPKEQMMXJLRW-UTUOFQBUSA-N
XLogP0.10
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]acetamide (CID 86769001) is N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]acetamide is CC(=O)NC[C@H]1OC[C@@H](NCc2cccs2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]acetamide?
The InChIKey is KZGPKEQMMXJLRW-UTUOFQBUSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(15)13-6-11-12(16)10(7-17-11)14-5-9-3-2-4-18-9/h2-4,10-12,14,16H,5-7H2,1H3,(H,13,15)/t10-,11-,12+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]acetamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]acetamide has a molecular weight of 270.35 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 86769001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).