4-ethyl-1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide

C14H27N3O2S2 — CID 61122278

IUPAC4-ethyl-1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
SMILESCCC1CCC(NS(=O)(=O)N2CCCCC2)(C(N)=S)CC1
InChIInChI=1S/C14H27N3O2S2/c1-2-12-6-8-14(9-7-12,13(15)20)16-21(18,19)17-10-4-3-5-11-17/h12,16H,2-11H2,1H3,(H2,15,20)
InChIKeyUXCPECRVPUHFRF-UHFFFAOYSA-N
MW333.52 g/mol
LogP1.93
Rot. Bonds5

About 4-ethyl-1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide

4-ethyl-1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide (PubChem CID 61122278) has the molecular formula C14H27N3O2S2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 4-ethyl-1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide.

Molecular Properties

Compound Name4-ethyl-1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
PubChem CID61122278
Molecular FormulaC14H27N3O2S2
Molecular Weight333.52 g/mol
Exact Mass333.15
IUPAC Name4-ethyl-1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
SMILESCCC1CCC(NS(=O)(=O)N2CCCCC2)(C(N)=S)CC1
InChIInChI=1S/C14H27N3O2S2/c1-2-12-6-8-14(9-7-12,13(15)20)16-21(18,19)17-10-4-3-5-11-17/h12,16H,2-11H2,1H3,(H2,15,20)
InChIKeyUXCPECRVPUHFRF-UHFFFAOYSA-N
XLogP1.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 51.93
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)-4-methylcyclohexyl]-4-methylpiperidine-1-sulfonamide
CID 28940700
N-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide
CID 28940702
N-[1-(aminomethyl)-4-ethylcyclohexyl]-4-methylpiperidine-1-sulfonamide
CID 28940740
N-[1-(aminomethyl)-4-ethylcyclohexyl]piperidine-1-sulfonamide
CID 28940742
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 43119830
N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpiperidine-1-sulfonamide
CID 43119837
N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 43119838
1-(Diethylsulfamoylamino)-4-ethylcyclohexane-1-carbothioamide
CID 61122082
1-(Piperidin-1-ylsulfonylamino)cycloheptane-1-carbothioamide
CID 61122085
1-(Piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61122272
1-[(4-Methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61122274
1-[(4-Methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carbothioamide
CID 61122281

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide?
The IUPAC name of 4-ethyl-1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide (CID 61122278) is 4-ethyl-1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide.
What is the SMILES notation for 4-ethyl-1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide?
The canonical SMILES for 4-ethyl-1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide is CCC1CCC(NS(=O)(=O)N2CCCCC2)(C(N)=S)CC1.
What is the InChIKey of 4-ethyl-1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide?
The InChIKey is UXCPECRVPUHFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S2/c1-2-12-6-8-14(9-7-12,13(15)20)16-21(18,19)17-10-4-3-5-11-17/h12,16H,2-11H2,1H3,(H2,15,20).
What are the key properties of 4-ethyl-1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide?
4-ethyl-1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide has a molecular weight of 333.52 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide is sourced from PubChem (CID 61122278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).