1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide

C12H23N3O2S2 — CID 61122268

IUPAC1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESCC1CCCN(S(=O)(=O)NC2(C(N)=S)CCCC2)C1
InChIInChI=1S/C12H23N3O2S2/c1-10-5-4-8-15(9-10)19(16,17)14-12(11(13)18)6-2-3-7-12/h10,14H,2-9H2,1H3,(H2,13,18)
InChIKeyJEFBGMCMLSOYEG-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.15
Rot. Bonds4

About 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide

1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide (PubChem CID 61122268) has the molecular formula C12H23N3O2S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide
PubChem CID61122268
Molecular FormulaC12H23N3O2S2
Molecular Weight305.47 g/mol
Exact Mass305.12
IUPAC Name1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESCC1CCCN(S(=O)(=O)NC2(C(N)=S)CCCC2)C1
InChIInChI=1S/C12H23N3O2S2/c1-10-5-4-8-15(9-10)19(16,17)14-12(11(13)18)6-2-3-7-12/h10,14H,2-9H2,1H3,(H2,13,18)
InChIKeyJEFBGMCMLSOYEG-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-methylpiperidine-1-sulfonamide
CID 28940516
1-(Dimethylsulfamoyl)piperidine-4-carbothioamide
CID 39354987
N-[1-(aminomethyl)cyclopentyl]-2-methylpiperidine-1-sulfonamide
CID 43119808
N-[1-(aminomethyl)cyclopentyl]-3-methylpiperidine-1-sulfonamide
CID 43119809
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide
CID 54947200
3-[(4-Methylpiperidin-1-yl)sulfonyl-propan-2-ylamino]propanethioamide
CID 54998047
3-[(3-Methylpiperidin-1-yl)sulfonyl-propan-2-ylamino]propanethioamide
CID 54998098
2-[(2-Methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide
CID 55154044
2-Methyl-2-(piperidin-1-ylsulfonylamino)propanethioamide
CID 61118853
2-Methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 61119053
2-Methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 61119257
2-Methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 61119258

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The IUPAC name of 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide (CID 61122268) is 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The canonical SMILES for 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide is CC1CCCN(S(=O)(=O)NC2(C(N)=S)CCCC2)C1.
What is the InChIKey of 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The InChIKey is JEFBGMCMLSOYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S2/c1-10-5-4-8-15(9-10)19(16,17)14-12(11(13)18)6-2-3-7-12/h10,14H,2-9H2,1H3,(H2,13,18).
What are the key properties of 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide?
1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide has a molecular weight of 305.47 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide is sourced from PubChem (CID 61122268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).