2-(thiophen-2-ylmethoxymethyl)pentane-1-sulfonyl chloride

C11H17ClO3S2 — CID 65012708

IUPAC2-(thiophen-2-ylmethoxymethyl)pentane-1-sulfonyl chloride
SMILESCCCC(COCc1cccs1)CS(=O)(=O)Cl
InChIInChI=1S/C11H17ClO3S2/c1-2-4-10(9-17(12,13)14)7-15-8-11-5-3-6-16-11/h3,5-6,10H,2,4,7-9H2,1H3
InChIKeyRPCUSWYMBAJWHI-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.25
Rot. Bonds8

About 2-(thiophen-2-ylmethoxymethyl)pentane-1-sulfonyl chloride

2-(thiophen-2-ylmethoxymethyl)pentane-1-sulfonyl chloride (PubChem CID 65012708) has the molecular formula C11H17ClO3S2 and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethoxymethyl)pentane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(thiophen-2-ylmethoxymethyl)pentane-1-sulfonyl chloride
PubChem CID65012708
Molecular FormulaC11H17ClO3S2
Molecular Weight296.84 g/mol
Exact Mass296.03
IUPAC Name2-(thiophen-2-ylmethoxymethyl)pentane-1-sulfonyl chloride
SMILESCCCC(COCc1cccs1)CS(=O)(=O)Cl
InChIInChI=1S/C11H17ClO3S2/c1-2-4-10(9-17(12,13)14)7-15-8-11-5-3-6-16-11/h3,5-6,10H,2,4,7-9H2,1H3
InChIKeyRPCUSWYMBAJWHI-UHFFFAOYSA-N
XLogP3.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(thiophen-2-ylmethoxymethyl)pentane-1-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol
CID 106115240
2-(ethoxymethyl)thiophene
CID 12699283
2-[(4-ethylphenoxy)methyl]pentane-1-sulfonyl chloride
CID 65012648
1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60634664
2-[(3-ethoxyphenoxy)methyl]pentane-1-sulfonyl chloride
CID 65012961
2-(hexoxymethyl)thiophene
CID 57182867
2-(phenylmethoxymethyl)pentane-1-sulfonamide
CID 65013117
2-(2-azidohexoxymethyl)thiophene
CID 54406472
2-[(3-chloro-2-fluorophenoxy)methyl]pentane-1-sulfonyl chloride
CID 116690829
3-(thiophen-2-ylmethoxymethyl)pentan-3-amine
CID 64571428
4-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-methylamino]ethyl]benzenesulfonamide
CID 78827659
2-(3,3-diethoxypropoxymethyl)thiophene
CID 63630148

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethoxymethyl)pentane-1-sulfonyl chloride?
The IUPAC name of 2-(thiophen-2-ylmethoxymethyl)pentane-1-sulfonyl chloride (CID 65012708) is 2-(thiophen-2-ylmethoxymethyl)pentane-1-sulfonyl chloride.
What is the SMILES notation for 2-(thiophen-2-ylmethoxymethyl)pentane-1-sulfonyl chloride?
The canonical SMILES for 2-(thiophen-2-ylmethoxymethyl)pentane-1-sulfonyl chloride is CCCC(COCc1cccs1)CS(=O)(=O)Cl.
What is the InChIKey of 2-(thiophen-2-ylmethoxymethyl)pentane-1-sulfonyl chloride?
The InChIKey is RPCUSWYMBAJWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO3S2/c1-2-4-10(9-17(12,13)14)7-15-8-11-5-3-6-16-11/h3,5-6,10H,2,4,7-9H2,1H3.
What are the key properties of 2-(thiophen-2-ylmethoxymethyl)pentane-1-sulfonyl chloride?
2-(thiophen-2-ylmethoxymethyl)pentane-1-sulfonyl chloride has a molecular weight of 296.84 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethoxymethyl)pentane-1-sulfonyl chloride is sourced from PubChem (CID 65012708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).