4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride

C10H12ClNO4S2 — CID 65368622

IUPAC4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride
SMILESO=C(NCC1CCCO1)c1csc(S(=O)(=O)Cl)c1
InChIInChI=1S/C10H12ClNO4S2/c11-18(14,15)9-4-7(6-17-9)10(13)12-5-8-2-1-3-16-8/h4,6,8H,1-3,5H2,(H,12,13)
InChIKeyGCSDJLVHPUNQHG-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.58
Rot. Bonds4

About 4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride

4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride (PubChem CID 65368622) has the molecular formula C10H12ClNO4S2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride
PubChem CID65368622
Molecular FormulaC10H12ClNO4S2
Molecular Weight309.80 g/mol
Exact Mass308.99
IUPAC Name4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride
SMILESO=C(NCC1CCCO1)c1csc(S(=O)(=O)Cl)c1
InChIInChI=1S/C10H12ClNO4S2/c11-18(14,15)9-4-7(6-17-9)10(13)12-5-8-2-1-3-16-8/h4,6,8H,1-3,5H2,(H,12,13)
InChIKeyGCSDJLVHPUNQHG-UHFFFAOYSA-N
XLogP1.58
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65371125
5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide
CID 17191153
4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride
CID 65397370
3-[4-(oxan-2-ylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 79691181
N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 2336673
2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65368575
3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109050678
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-bromo-3-(oxan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65370814
2-bromo-4-chloro-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65368764
9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide
CID 42559548

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride (CID 65368622) is 4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride is O=C(NCC1CCCO1)c1csc(S(=O)(=O)Cl)c1.
What is the InChIKey of 4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride?
The InChIKey is GCSDJLVHPUNQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S2/c11-18(14,15)9-4-7(6-17-9)10(13)12-5-8-2-1-3-16-8/h4,6,8H,1-3,5H2,(H,12,13).
What are the key properties of 4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride?
4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride has a molecular weight of 309.80 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65368622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).