2-[(4-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide

C12H23N3O2S2 — CID 62957635

IUPAC2-[(4-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESCC1CCN(S(=O)(=O)NC2CCCC2C(N)=S)CC1
InChIInChI=1S/C12H23N3O2S2/c1-9-5-7-15(8-6-9)19(16,17)14-11-4-2-3-10(11)12(13)18/h9-11,14H,2-8H2,1H3,(H2,13,18)
InChIKeyQEOITHPYBZRCKN-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.01
Rot. Bonds4

About 2-[(4-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide

2-[(4-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide (PubChem CID 62957635) has the molecular formula C12H23N3O2S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-[(4-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name2-[(4-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide
PubChem CID62957635
Molecular FormulaC12H23N3O2S2
Molecular Weight305.47 g/mol
Exact Mass305.12
IUPAC Name2-[(4-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESCC1CCN(S(=O)(=O)NC2CCCC2C(N)=S)CC1
InChIInChI=1S/C12H23N3O2S2/c1-9-5-7-15(8-6-9)19(16,17)14-11-4-2-3-10(11)12(13)18/h9-11,14H,2-8H2,1H3,(H2,13,18)
InChIKeyQEOITHPYBZRCKN-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
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-[(4-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The IUPAC name of 2-[(4-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide (CID 62957635) is 2-[(4-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide.
What is the SMILES notation for 2-[(4-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The canonical SMILES for 2-[(4-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide is CC1CCN(S(=O)(=O)NC2CCCC2C(N)=S)CC1.
What is the InChIKey of 2-[(4-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The InChIKey is QEOITHPYBZRCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S2/c1-9-5-7-15(8-6-9)19(16,17)14-11-4-2-3-10(11)12(13)18/h9-11,14H,2-8H2,1H3,(H2,13,18).
What are the key properties of 2-[(4-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide?
2-[(4-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide has a molecular weight of 305.47 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide is sourced from PubChem (CID 62957635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).