N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine

C12H22N4O2S — CID 115761672

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCCn1nccc1CNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H22N4O2S/c1-3-16-12(4-7-14-16)10-13-11-5-8-15(9-6-11)19(2,17)18/h4,7,11,13H,3,5-6,8-10H2,1-2H3
InChIKeyDPXRVMSULRZTEO-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.42
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine

N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 115761672) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
PubChem CID115761672
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCCn1nccc1CNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H22N4O2S/c1-3-16-12(4-7-14-16)10-13-11-5-8-15(9-6-11)19(2,17)18/h4,7,11,13H,3,5-6,8-10H2,1-2H3
InChIKeyDPXRVMSULRZTEO-UHFFFAOYSA-N
XLogP0.42
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide
CID 115761657
N-[(2-ethylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)piperidin-4-amine
CID 126835878
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine
CID 115762067
N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114555002
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate
CID 103845092
N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 113334912
2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43628772
1-methylsulfonyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 47030573
N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 65178386
1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine
CID 66131885
N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 106816263
N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 115761677

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine (CID 115761672) is N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine is CCn1nccc1CNC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is DPXRVMSULRZTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-16-12(4-7-14-16)10-13-11-5-8-15(9-6-11)19(2,17)18/h4,7,11,13H,3,5-6,8-10H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 286.40 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 115761672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).