1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide

C11H21N3O2S2 — CID 61122468

IUPAC1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C11H21N3O2S2/c12-10(17)11(6-2-1-3-7-11)13-18(15,16)14-8-4-5-9-14/h13H,1-9H2,(H2,12,17)
InChIKeyZZROMWKJRYQRBA-UHFFFAOYSA-N
MW291.44 g/mol
LogP0.91
Rot. Bonds4

About 1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide

1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide (PubChem CID 61122468) has the molecular formula C11H21N3O2S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide.

Molecular Properties

Compound Name1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
PubChem CID61122468
Molecular FormulaC11H21N3O2S2
Molecular Weight291.44 g/mol
Exact Mass291.11
IUPAC Name1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C11H21N3O2S2/c12-10(17)11(6-2-1-3-7-11)13-18(15,16)14-8-4-5-9-14/h13H,1-9H2,(H2,12,17)
InChIKeyZZROMWKJRYQRBA-UHFFFAOYSA-N
XLogP0.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 50.91
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)cyclohexyl]pyrrolidine-1-sulfonamide
CID 28940474
N-[(1-aminocyclohexyl)methyl]pyrrolidine-1-sulfonamide
CID 43598182
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carbothioamide
CID 54947201
1-(Diethylsulfamoylamino)cyclohexane-1-carbothioamide
CID 61122078
1-(Piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61122272
1-[(4-Methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61122274
1-(Pyrrolidin-1-ylsulfonylamino)cycloheptane-1-carbothioamide
CID 61122283
4-Ethyl-1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61122475
1-(Azepan-1-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61122666
1-[(3-Methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61122667
1-[(2-Methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61122668
2-Cyclohexyl-2-(pyrrolidin-1-ylsulfonylamino)ethanethioamide
CID 61122697

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide?
The IUPAC name of 1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide (CID 61122468) is 1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide.
What is the SMILES notation for 1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide?
The canonical SMILES for 1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide is NC(=S)C1(NS(=O)(=O)N2CCCC2)CCCCC1.
What is the InChIKey of 1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide?
The InChIKey is ZZROMWKJRYQRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S2/c12-10(17)11(6-2-1-3-7-11)13-18(15,16)14-8-4-5-9-14/h13H,1-9H2,(H2,12,17).
What are the key properties of 1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide?
1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide has a molecular weight of 291.44 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide is sourced from PubChem (CID 61122468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).