1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-ethyl-N-methylpiperidin-4-amine

C13H24N4O2S — CID 114507253

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-ethyl-N-methylpiperidin-4-amine
SMILESCCC1CN(S(=O)(=O)c2c(C)n[nH]c2C)CCC1NC
InChIInChI=1S/C13H24N4O2S/c1-5-11-8-17(7-6-12(11)14-4)20(18,19)13-9(2)15-16-10(13)3/h11-12,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyKSNXQHSFLRCKKU-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.04
Rot. Bonds4

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-ethyl-N-methylpiperidin-4-amine

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-ethyl-N-methylpiperidin-4-amine (PubChem CID 114507253) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-ethyl-N-methylpiperidin-4-amine
PubChem CID114507253
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-ethyl-N-methylpiperidin-4-amine
SMILESCCC1CN(S(=O)(=O)c2c(C)n[nH]c2C)CCC1NC
InChIInChI=1S/C13H24N4O2S/c1-5-11-8-17(7-6-12(11)14-4)20(18,19)13-9(2)15-16-10(13)3/h11-12,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyKSNXQHSFLRCKKU-UHFFFAOYSA-N
XLogP1.04
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine
CID 114507117
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]ethanol
CID 115901977
3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
CID 102962583
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-3-ol
CID 103914983
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119998450
N-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]propan-1-amine
CID 63880352
N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanesulfonamide
CID 60705530
3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine
CID 114507280
methyl (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 115536279
4-(3-benzylpyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole
CID 110874342
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanamine;hydrochloride
CID 119998465

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-ethyl-N-methylpiperidin-4-amine (CID 114507253) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-ethyl-N-methylpiperidin-4-amine is CCC1CN(S(=O)(=O)c2c(C)n[nH]c2C)CCC1NC.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-ethyl-N-methylpiperidin-4-amine?
The InChIKey is KSNXQHSFLRCKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-5-11-8-17(7-6-12(11)14-4)20(18,19)13-9(2)15-16-10(13)3/h11-12,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-ethyl-N-methylpiperidin-4-amine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-ethyl-N-methylpiperidin-4-amine has a molecular weight of 300.43 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 114507253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).