5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride

C14H20ClNO3S2 — CID 65019612

IUPAC5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCc1ccc(S(=O)(=O)Cl)s1)C1CCCCCCC1
InChIInChI=1S/C14H20ClNO3S2/c15-21(18,19)13-9-8-12(20-13)10-16-14(17)11-6-4-2-1-3-5-7-11/h8-9,11H,1-7,10H2,(H,16,17)
InChIKeyAOUKCRMUJDEYDJ-UHFFFAOYSA-N
MW349.91 g/mol
LogP3.65
Rot. Bonds4

About 5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride

5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride (PubChem CID 65019612) has the molecular formula C14H20ClNO3S2 and a molecular weight of 349.91 g/mol. Its IUPAC name is 5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride
PubChem CID65019612
Molecular FormulaC14H20ClNO3S2
Molecular Weight349.91 g/mol
Exact Mass349.06
IUPAC Name5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCc1ccc(S(=O)(=O)Cl)s1)C1CCCCCCC1
InChIInChI=1S/C14H20ClNO3S2/c15-21(18,19)13-9-8-12(20-13)10-16-14(17)11-6-4-2-1-3-5-7-11/h8-9,11H,1-7,10H2,(H,16,17)
InChIKeyAOUKCRMUJDEYDJ-UHFFFAOYSA-N
XLogP3.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 53.65
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-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 55047990
5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 24689033
N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide
CID 32775478
5-[(1,4-dioxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 62799225
9-amino-N-[(5-sulfamoylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984442
5-[[(4-bromobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363006
5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride
CID 43173395
5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363004
5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43110787
1-cyclohexyl-3-[(5-sulfamoylthiophen-2-yl)methyl]urea
CID 47120984
2-cyclohexyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 43093036

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride (CID 65019612) is 5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride is O=C(NCc1ccc(S(=O)(=O)Cl)s1)C1CCCCCCC1.
What is the InChIKey of 5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride?
The InChIKey is AOUKCRMUJDEYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S2/c15-21(18,19)13-9-8-12(20-13)10-16-14(17)11-6-4-2-1-3-5-7-11/h8-9,11H,1-7,10H2,(H,16,17).
What are the key properties of 5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride?
5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride has a molecular weight of 349.91 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65019612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).