N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide

C12H17NO2S — CID 30971824

IUPACN-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide
SMILESC[C@H](NC(=O)C1CCOCC1)c1cccs1
InChIInChI=1S/C12H17NO2S/c1-9(11-3-2-8-16-11)13-12(14)10-4-6-15-7-5-10/h2-3,8-10H,4-7H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyXMWUGZGMVPRVIJ-VIFPVBQESA-N
MW239.34 g/mol
LogP2.35
Rot. Bonds3

About N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide

N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide (PubChem CID 30971824) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide
PubChem CID30971824
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide
SMILESC[C@H](NC(=O)C1CCOCC1)c1cccs1
InChIInChI=1S/C12H17NO2S/c1-9(11-3-2-8-16-11)13-12(14)10-4-6-15-7-5-10/h2-3,8-10H,4-7H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyXMWUGZGMVPRVIJ-VIFPVBQESA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 81408620
N-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxamide
CID 81407911
cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091689
2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 120784158
N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092
5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688785
(3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 94154276
N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide
CID 7110557
1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 68596245
2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 81408900
2-amino-N-(1-thiophen-2-ylethyl)cyclopentane-1-carboxamide
CID 64822918
(3S)-3-[[(3S)-oxolane-3-carbonyl]amino]-3-thiophen-2-ylpropanoic acid
CID 124700640

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide?
The IUPAC name of N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide (CID 30971824) is N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide?
The canonical SMILES for N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide is C[C@H](NC(=O)C1CCOCC1)c1cccs1.
What is the InChIKey of N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide?
The InChIKey is XMWUGZGMVPRVIJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9(11-3-2-8-16-11)13-12(14)10-4-6-15-7-5-10/h2-3,8-10H,4-7H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide?
N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide is sourced from PubChem (CID 30971824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).