4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine

C10H20ClNO2S2 — CID 66378289

IUPAC4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1CCCCCl
InChIInChI=1S/C10H20ClNO2S2/c1-2-16(13,14)10-9-15-8-7-12(10)6-4-3-5-11/h10H,2-9H2,1H3
InChIKeyNPJWBILVPDLHJO-UHFFFAOYSA-N
MW285.86 g/mol
LogP1.82
Rot. Bonds6

About 4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine

4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine (PubChem CID 66378289) has the molecular formula C10H20ClNO2S2 and a molecular weight of 285.86 g/mol. Its IUPAC name is 4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine
PubChem CID66378289
Molecular FormulaC10H20ClNO2S2
Molecular Weight285.86 g/mol
Exact Mass285.06
IUPAC Name4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1CCCCCl
InChIInChI=1S/C10H20ClNO2S2/c1-2-16(13,14)10-9-15-8-7-12(10)6-4-3-5-11/h10H,2-9H2,1H3
InChIKeyNPJWBILVPDLHJO-UHFFFAOYSA-N
XLogP1.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine
CID 66377349
3-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-1-amine
CID 66377525
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine
CID 66375798
4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
CID 66375585
4-(4-chlorobutylsulfonyl)-3-ethylsulfonylthiomorpholine
CID 66376976
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine
CID 66377931
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine
CID 66378310
3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide
CID 66377719
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 66375791
3-ethylsulfonyl-4-(3-pyrrolidin-2-ylpropyl)thiomorpholine
CID 66382743
N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine
CID 66375608

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine?
The IUPAC name of 4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine (CID 66378289) is 4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine.
What is the SMILES notation for 4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine?
The canonical SMILES for 4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine is CCS(=O)(=O)C1CSCCN1CCCCCl.
What is the InChIKey of 4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine?
The InChIKey is NPJWBILVPDLHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S2/c1-2-16(13,14)10-9-15-8-7-12(10)6-4-3-5-11/h10H,2-9H2,1H3.
What are the key properties of 4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine?
4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine has a molecular weight of 285.86 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine is sourced from PubChem (CID 66378289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).