2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine

C15H25N3O2S — CID 65020189

IUPAC2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine
SMILESNC(Cc1ccn(C2CCCCC2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H25N3O2S/c16-15(12-7-9-21(19,20)11-12)10-13-6-8-18(17-13)14-4-2-1-3-5-14/h6,8,12,14-15H,1-5,7,9-11,16H2
InChIKeyOYZXMIUZGDHVRW-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.69
Rot. Bonds4

About 2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine

2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine (PubChem CID 65020189) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine
PubChem CID65020189
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine
SMILESNC(Cc1ccn(C2CCCCC2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H25N3O2S/c16-15(12-7-9-21(19,20)11-12)10-13-6-8-18(17-13)14-4-2-1-3-5-14/h6,8,12,14-15H,1-5,7,9-11,16H2
InChIKeyOYZXMIUZGDHVRW-UHFFFAOYSA-N
XLogP1.69
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-Phenylpyrazol-1-yl)thiolane 1,1-dioxide
CID 3696359
8-Cyclopropylsulfonyl-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octane
CID 128290339
1-(2,2-difluorocyclopentyl)-N-[1-(1-methylpyrazol-3-yl)ethyl]methanesulfonamide
CID 128776304
(3S)-1-ethylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine
CID 129523917
5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole;(3R)-3-(ethylsulfonylmethyl)pyrrolidine
CID 168907017
5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole;(3S)-3-(2-ethylsulfonylethyl)pyrrolidine
CID 168907225
3-(1-Methylpyrazol-3-yl)-1,4-thiazinane 1,1-dioxide
CID 69037832
2-[3-[2-(1-Methylsulfonylpiperidin-3-yl)ethyl]pyrazol-1-yl]ethanamine
CID 90884605
3-(5-Cyclopropylpyrazol-1-yl)thiolane 1,1-dioxide
CID 91156165
3-Cyclopropyl-1-(2-methylsulfonylethyl)pyrazole
CID 153974573
(S)-2-methyl-N-[(4R,6R)-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]propane-2-sulfinamide
CID 166660850
(S)-2-methyl-N-[(4R,6S)-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]propane-2-sulfinamide
CID 168721549

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine?
The IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine (CID 65020189) is 2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine?
The canonical SMILES for 2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine is NC(Cc1ccn(C2CCCCC2)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine?
The InChIKey is OYZXMIUZGDHVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c16-15(12-7-9-21(19,20)11-12)10-13-6-8-18(17-13)14-4-2-1-3-5-14/h6,8,12,14-15H,1-5,7,9-11,16H2.
What are the key properties of 2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine?
2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine has a molecular weight of 311.45 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine is sourced from PubChem (CID 65020189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).