1-butylsulfonylpiperidine-4-carbothioamide

C10H20N2O2S2 — CID 39364305

IUPAC1-butylsulfonylpiperidine-4-carbothioamide
SMILESCCCCS(=O)(=O)N1CCC(C(N)=S)CC1
InChIInChI=1S/C10H20N2O2S2/c1-2-3-8-16(13,14)12-6-4-9(5-7-12)10(11)15/h9H,2-8H2,1H3,(H2,11,15)
InChIKeyHWISNBRUDWRCEW-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.11
Rot. Bonds5

About 1-butylsulfonylpiperidine-4-carbothioamide

1-butylsulfonylpiperidine-4-carbothioamide (PubChem CID 39364305) has the molecular formula C10H20N2O2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-butylsulfonylpiperidine-4-carbothioamide.

Molecular Properties

Compound Name1-butylsulfonylpiperidine-4-carbothioamide
PubChem CID39364305
Molecular FormulaC10H20N2O2S2
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC Name1-butylsulfonylpiperidine-4-carbothioamide
SMILESCCCCS(=O)(=O)N1CCC(C(N)=S)CC1
InChIInChI=1S/C10H20N2O2S2/c1-2-3-8-16(13,14)12-6-4-9(5-7-12)10(11)15/h9H,2-8H2,1H3,(H2,11,15)
InChIKeyHWISNBRUDWRCEW-UHFFFAOYSA-N
XLogP1.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-propylsulfonylpiperidine-4-carboxamide
CID 6473107
2-(4-butylsulfonylpiperazin-1-yl)butanethioamide
CID 55203140
2-[(1-butylsulfonylpiperidine-4-carbonyl)-methylamino]acetic acid
CID 119171791
N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878962
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
N-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119606604
1-butylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971586
1-pentylsulfonylpyrrolidine-3-carboxylic acid
CID 122068573
2-(4-butylsulfonylpiperazin-1-yl)propanamide
CID 110750511
1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide
CID 6472564
N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878575
[3-(1-aminoethyl)piperidin-1-yl]-(1-butylsulfonylpiperidin-4-yl)methanone;hydrochloride
CID 119594012

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonylpiperidine-4-carbothioamide?
The IUPAC name of 1-butylsulfonylpiperidine-4-carbothioamide (CID 39364305) is 1-butylsulfonylpiperidine-4-carbothioamide.
What is the SMILES notation for 1-butylsulfonylpiperidine-4-carbothioamide?
The canonical SMILES for 1-butylsulfonylpiperidine-4-carbothioamide is CCCCS(=O)(=O)N1CCC(C(N)=S)CC1.
What is the InChIKey of 1-butylsulfonylpiperidine-4-carbothioamide?
The InChIKey is HWISNBRUDWRCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S2/c1-2-3-8-16(13,14)12-6-4-9(5-7-12)10(11)15/h9H,2-8H2,1H3,(H2,11,15).
What are the key properties of 1-butylsulfonylpiperidine-4-carbothioamide?
1-butylsulfonylpiperidine-4-carbothioamide has a molecular weight of 264.42 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonylpiperidine-4-carbothioamide is sourced from PubChem (CID 39364305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).