2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide

C12H23N3O2S2 — CID 55154044

IUPAC2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESCC1CCCCN1S(=O)(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C12H23N3O2S2/c1-9-5-2-3-8-15(9)19(16,17)14-11-7-4-6-10(11)12(13)18/h9-11,14H,2-8H2,1H3,(H2,13,18)
InChIKeyRJKFSWAXIKSDDL-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.15
Rot. Bonds4

About 2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide

2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide (PubChem CID 55154044) has the molecular formula C12H23N3O2S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide
PubChem CID55154044
Molecular FormulaC12H23N3O2S2
Molecular Weight305.47 g/mol
Exact Mass305.12
IUPAC Name2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESCC1CCCCN1S(=O)(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C12H23N3O2S2/c1-9-5-2-3-8-15(9)19(16,17)14-11-7-4-6-10(11)12(13)18/h9-11,14H,2-8H2,1H3,(H2,13,18)
InChIKeyRJKFSWAXIKSDDL-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The IUPAC name of 2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide (CID 55154044) is 2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide.
What is the SMILES notation for 2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The canonical SMILES for 2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide is CC1CCCCN1S(=O)(=O)NC1CCCC1C(N)=S.
What is the InChIKey of 2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The InChIKey is RJKFSWAXIKSDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S2/c1-9-5-2-3-8-15(9)19(16,17)14-11-7-4-6-10(11)12(13)18/h9-11,14H,2-8H2,1H3,(H2,13,18).
What are the key properties of 2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide?
2-[(2-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 2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide is sourced from PubChem (CID 55154044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).