N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine

C14H26N4O2S — CID 114498903

IUPACN-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1C
InChIInChI=1S/C14H26N4O2S/c1-6-15-13-7-8-18(9-10(13)2)21(19,20)14-11(3)16-17(5)12(14)4/h10,13,15H,6-9H2,1-5H3
InChIKeyYVOSYTXPNPWTAM-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.05
Rot. Bonds4

About N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine

N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine (PubChem CID 114498903) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
PubChem CID114498903
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1C
InChIInChI=1S/C14H26N4O2S/c1-6-15-13-7-8-18(9-10(13)2)21(19,20)14-11(3)16-17(5)12(14)4/h10,13,15H,6-9H2,1-5H3
InChIKeyYVOSYTXPNPWTAM-UHFFFAOYSA-N
XLogP1.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
CID 66291193
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 113282433
N-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977934
N-(cyclopropylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119987891
4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 90586561
2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 121184119
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine
CID 91812382
N-[(3S,4R)-4-propan-2-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanesulfonamide
CID 70742820
1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine
CID 114498941
2-(chloromethyl)-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine
CID 81212496
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 79001470
1-(2,2-dimethylpropylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine
CID 114498948

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The IUPAC name of N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine (CID 114498903) is N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine is CCNC1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1C.
What is the InChIKey of N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The InChIKey is YVOSYTXPNPWTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-6-15-13-7-8-18(9-10(13)2)21(19,20)14-11(3)16-17(5)12(14)4/h10,13,15H,6-9H2,1-5H3.
What are the key properties of N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine has a molecular weight of 314.46 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 114498903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).