5-[1-[[2-(oxolan-2-yl)acetyl]amino]ethyl]thiophene-2-sulfonyl chloride

C12H16ClNO4S2 — CID 65157446

IUPAC5-[1-[[2-(oxolan-2-yl)acetyl]amino]ethyl]thiophene-2-sulfonyl chloride
SMILESCC(NC(=O)CC1CCCO1)c1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C12H16ClNO4S2/c1-8(10-4-5-12(19-10)20(13,16)17)14-11(15)7-9-3-2-6-18-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyAXHODGOUTPIYNB-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.42
Rot. Bonds5

About 5-[1-[[2-(oxolan-2-yl)acetyl]amino]ethyl]thiophene-2-sulfonyl chloride

5-[1-[[2-(oxolan-2-yl)acetyl]amino]ethyl]thiophene-2-sulfonyl chloride (PubChem CID 65157446) has the molecular formula C12H16ClNO4S2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 5-[1-[[2-(oxolan-2-yl)acetyl]amino]ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[1-[[2-(oxolan-2-yl)acetyl]amino]ethyl]thiophene-2-sulfonyl chloride
PubChem CID65157446
Molecular FormulaC12H16ClNO4S2
Molecular Weight337.85 g/mol
Exact Mass337.02
IUPAC Name5-[1-[[2-(oxolan-2-yl)acetyl]amino]ethyl]thiophene-2-sulfonyl chloride
SMILESCC(NC(=O)CC1CCCO1)c1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C12H16ClNO4S2/c1-8(10-4-5-12(19-10)20(13,16)17)14-11(15)7-9-3-2-6-18-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyAXHODGOUTPIYNB-UHFFFAOYSA-N
XLogP2.42
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 51938197
N-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide
CID 56793867
5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride
CID 65157400
N-[(1S)-1-(4-bromo-2-methoxyphenyl)ethyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 99826681
N-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide
CID 114300771
(3S)-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-3-thiophen-2-ylpropanoic acid
CID 124699769
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 103804697
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 65156988
(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid
CID 124559457
N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94663590
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119683065
2-(oxolan-2-yl)-N-(1-pyrrolidin-3-ylethyl)acetamide
CID 103977080

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[2-(oxolan-2-yl)acetyl]amino]ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[1-[[2-(oxolan-2-yl)acetyl]amino]ethyl]thiophene-2-sulfonyl chloride (CID 65157446) is 5-[1-[[2-(oxolan-2-yl)acetyl]amino]ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[1-[[2-(oxolan-2-yl)acetyl]amino]ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[1-[[2-(oxolan-2-yl)acetyl]amino]ethyl]thiophene-2-sulfonyl chloride is CC(NC(=O)CC1CCCO1)c1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[1-[[2-(oxolan-2-yl)acetyl]amino]ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is AXHODGOUTPIYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S2/c1-8(10-4-5-12(19-10)20(13,16)17)14-11(15)7-9-3-2-6-18-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 5-[1-[[2-(oxolan-2-yl)acetyl]amino]ethyl]thiophene-2-sulfonyl chloride?
5-[1-[[2-(oxolan-2-yl)acetyl]amino]ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 337.85 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[2-(oxolan-2-yl)acetyl]amino]ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65157446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).