(3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide

C13H19NO3S — CID 100723065

IUPAC(3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide
SMILESC[C@H](O)c1ccc(CCNC(=O)[C@H]2CCOC2)s1
InChIInChI=1S/C13H19NO3S/c1-9(15)12-3-2-11(18-12)4-6-14-13(16)10-5-7-17-8-10/h2-3,9-10,15H,4-8H2,1H3,(H,14,16)/t9-,10-/m0/s1
InChIKeyQUQBSJYTCADCDG-UWVGGRQHSA-N
MW269.37 g/mol
LogP1.50
Rot. Bonds5

About (3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide

(3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide (PubChem CID 100723065) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is (3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide
PubChem CID100723065
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name(3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide
SMILESC[C@H](O)c1ccc(CCNC(=O)[C@H]2CCOC2)s1
InChIInChI=1S/C13H19NO3S/c1-9(15)12-3-2-11(18-12)4-6-14-13(16)10-5-7-17-8-10/h2-3,9-10,15H,4-8H2,1H3,(H,14,16)/t9-,10-/m0/s1
InChIKeyQUQBSJYTCADCDG-UWVGGRQHSA-N
XLogP1.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]acetamide
CID 124759588
N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356
N-(3-bromobutyl)oxolane-3-carboxamide
CID 114312616
N-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]furan-3-carboxamide
CID 91817579
4-[2-(oxolane-3-carbonylamino)ethyl]benzenesulfonyl chloride
CID 61272579
2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid
CID 104682491
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide
CID 126852682
1-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-3-(2-methylphenyl)urea
CID 100723881
2,5-dichloro-N-[2-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]ethyl]benzamide
CID 100722892
(3S)-N-[2-(2-phenylethylsulfonyl)ethyl]oxolane-3-carboxamide
CID 100734487
N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide
CID 103770925
N-[(4-hydroxyphenyl)methyl]oxolane-3-carboxamide
CID 115595322

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide (CID 100723065) is (3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide is C[C@H](O)c1ccc(CCNC(=O)[C@H]2CCOC2)s1.
What is the InChIKey of (3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide?
The InChIKey is QUQBSJYTCADCDG-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9(15)12-3-2-11(18-12)4-6-14-13(16)10-5-7-17-8-10/h2-3,9-10,15H,4-8H2,1H3,(H,14,16)/t9-,10-/m0/s1.
What are the key properties of (3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide?
(3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 100723065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).