4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine

C10H20ClNO4S3 — CID 66376976

IUPAC4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1S(=O)(=O)CCCCCl
InChIInChI=1S/C10H20ClNO4S3/c1-2-18(13,14)10-9-17-7-6-12(10)19(15,16)8-4-3-5-11/h10H,2-9H2,1H3
InChIKeyFYCUKSFXSCSHMY-UHFFFAOYSA-N
MW349.93 g/mol
LogP1.14
Rot. Bonds7

About 4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine

4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine (PubChem CID 66376976) has the molecular formula C10H20ClNO4S3 and a molecular weight of 349.93 g/mol. Its IUPAC name is 4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine
PubChem CID66376976
Molecular FormulaC10H20ClNO4S3
Molecular Weight349.93 g/mol
Exact Mass349.02
IUPAC Name4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1S(=O)(=O)CCCCCl
InChIInChI=1S/C10H20ClNO4S3/c1-2-18(13,14)10-9-17-7-6-12(10)19(15,16)8-4-3-5-11/h10H,2-9H2,1H3
InChIKeyFYCUKSFXSCSHMY-UHFFFAOYSA-N
XLogP1.14
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.93
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol
CID 66376812
3-ethylsulfonyl-4-propylsulfonylthiomorpholine
CID 66376427
N-ethyl-3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-amine
CID 66378170
4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine
CID 66378289
4-(3-chloro-2-methylpropyl)sulfonyl-3-ethylsulfonylthiomorpholine
CID 79588637
2-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylacetic acid
CID 66377519
4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487
3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine
CID 66376027
4-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-N-propan-2-ylbutan-1-amine
CID 66383682
4-[[5-(chloromethyl)-1H-pyrrol-3-yl]sulfonyl]-3-ethylsulfonylthiomorpholine
CID 66376586
4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol
CID 66376997
4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
CID 66375585

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine?
The IUPAC name of 4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine (CID 66376976) is 4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine.
What is the SMILES notation for 4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine?
The canonical SMILES for 4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine is CCS(=O)(=O)C1CSCCN1S(=O)(=O)CCCCCl.
What is the InChIKey of 4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine?
The InChIKey is FYCUKSFXSCSHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO4S3/c1-2-18(13,14)10-9-17-7-6-12(10)19(15,16)8-4-3-5-11/h10H,2-9H2,1H3.
What are the key properties of 4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine?
4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine has a molecular weight of 349.93 g/mol, XLogP of 1.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine is sourced from PubChem (CID 66376976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).