5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride

C10H12ClNO3S2 — CID 24689033

IUPAC5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCCc1ccc(S(=O)(=O)Cl)s1)C1CC1
InChIInChI=1S/C10H12ClNO3S2/c11-17(14,15)9-4-3-8(16-9)5-6-12-10(13)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,12,13)
InChIKeyQXTALZKCUCMVAJ-UHFFFAOYSA-N
MW293.80 g/mol
LogP1.74
Rot. Bonds5

About 5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride

5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride (PubChem CID 24689033) has the molecular formula C10H12ClNO3S2 and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
PubChem CID24689033
Molecular FormulaC10H12ClNO3S2
Molecular Weight293.80 g/mol
Exact Mass292.99
IUPAC Name5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCCc1ccc(S(=O)(=O)Cl)s1)C1CC1
InChIInChI=1S/C10H12ClNO3S2/c11-17(14,15)9-4-3-8(16-9)5-6-12-10(13)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,12,13)
InChIKeyQXTALZKCUCMVAJ-UHFFFAOYSA-N
XLogP1.74
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43098333
5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43110787
5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 65019612
5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride
CID 65157400
N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 115150875
cis-(1S,3R)-3-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114138901
5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride
CID 43095043
5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride
CID 43110433
5-[2-(1H-pyrazole-5-carbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 63086454
N-[2-(5-acetylthiophen-2-yl)ethyl]cyclobutanecarboxamide
CID 91817317
5-[2-(2-ethylhexanoylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43125512
4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 103808336

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride (CID 24689033) is 5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride is O=C(NCCc1ccc(S(=O)(=O)Cl)s1)C1CC1.
What is the InChIKey of 5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is QXTALZKCUCMVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S2/c11-17(14,15)9-4-3-8(16-9)5-6-12-10(13)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,12,13).
What are the key properties of 5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride?
5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 293.80 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 24689033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).