1-(3-ethylsulfonylpropyl)piperidine-2-carbothioamide

C11H22N2O2S2 — CID 65093551

IUPAC1-(3-ethylsulfonylpropyl)piperidine-2-carbothioamide
SMILESCCS(=O)(=O)CCCN1CCCCC1C(N)=S
InChIInChI=1S/C11H22N2O2S2/c1-2-17(14,15)9-5-8-13-7-4-3-6-10(13)11(12)16/h10H,2-9H2,1H3,(H2,12,16)
InChIKeyUITFLJLCSZRLFR-UHFFFAOYSA-N
MW278.44 g/mol
LogP0.95
Rot. Bonds6

About 1-(3-ethylsulfonylpropyl)piperidine-2-carbothioamide

1-(3-ethylsulfonylpropyl)piperidine-2-carbothioamide (PubChem CID 65093551) has the molecular formula C11H22N2O2S2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)piperidine-2-carbothioamide.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)piperidine-2-carbothioamide
PubChem CID65093551
Molecular FormulaC11H22N2O2S2
Molecular Weight278.44 g/mol
Exact Mass278.11
IUPAC Name1-(3-ethylsulfonylpropyl)piperidine-2-carbothioamide
SMILESCCS(=O)(=O)CCCN1CCCCC1C(N)=S
InChIInChI=1S/C11H22N2O2S2/c1-2-17(14,15)9-5-8-13-7-4-3-6-10(13)11(12)16/h10H,2-9H2,1H3,(H2,12,16)
InChIKeyUITFLJLCSZRLFR-UHFFFAOYSA-N
XLogP0.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethylsulfonylpropyl)azocane-2-carboxylic acid
CID 114239893
1-(2-propan-2-ylsulfonylethyl)pyrrolidine-2-carbothioamide
CID 106724873
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
CID 78993684
1-(3-hydroxy-3-methylbutyl)piperidine-2-carbothioamide
CID 79354742
1-butylpyrrolidine-2-carboxamide
CID 19388617
(2R)-1-butylpiperidine-2-carboxylic acid
CID 40787093
1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 142928283
4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide
CID 79681296
methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate
CID 79833648
1-(3-ethylsulfonylpropyl)piperidine-4-carboximidamide
CID 65092868
methyl 1-(5-aminopentyl)piperidine-2-carboxylate
CID 115533674
1-(4-amino-3,3-dimethyl-4-sulfanylidenebutyl)piperidine-2-carboxamide
CID 65249374

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)piperidine-2-carbothioamide?
The IUPAC name of 1-(3-ethylsulfonylpropyl)piperidine-2-carbothioamide (CID 65093551) is 1-(3-ethylsulfonylpropyl)piperidine-2-carbothioamide.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)piperidine-2-carbothioamide?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)piperidine-2-carbothioamide is CCS(=O)(=O)CCCN1CCCCC1C(N)=S.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)piperidine-2-carbothioamide?
The InChIKey is UITFLJLCSZRLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S2/c1-2-17(14,15)9-5-8-13-7-4-3-6-10(13)11(12)16/h10H,2-9H2,1H3,(H2,12,16).
What are the key properties of 1-(3-ethylsulfonylpropyl)piperidine-2-carbothioamide?
1-(3-ethylsulfonylpropyl)piperidine-2-carbothioamide has a molecular weight of 278.44 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)piperidine-2-carbothioamide is sourced from PubChem (CID 65093551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).