1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]piperidin-4-amine

C18H32N4O3S — CID 129006048

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]piperidin-4-amine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(NC[C@H]2CCO[C@@H]2C(C)C)CC1
InChIInChI=1S/C18H32N4O3S/c1-12(2)17-15(7-10-25-17)11-19-16-5-8-22(9-6-16)26(23,24)18-13(3)20-21-14(18)4/h12,15-17,19H,5-11H2,1-4H3,(H,20,21)/t15-,17-/m1/s1
InChIKeyBXTYFPHKXUCCQB-NVXWUHKLSA-N
MW384.55 g/mol
LogP1.83
Rot. Bonds6

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]piperidin-4-amine

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]piperidin-4-amine (PubChem CID 129006048) has the molecular formula C18H32N4O3S and a molecular weight of 384.55 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]piperidin-4-amine
PubChem CID129006048
Molecular FormulaC18H32N4O3S
Molecular Weight384.55 g/mol
Exact Mass384.22
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]piperidin-4-amine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(NC[C@H]2CCO[C@@H]2C(C)C)CC1
InChIInChI=1S/C18H32N4O3S/c1-12(2)17-15(7-10-25-17)11-19-16-5-8-22(9-6-16)26(23,24)18-13(3)20-21-14(18)4/h12,15-17,19H,5-11H2,1-4H3,(H,20,21)/t15-,17-/m1/s1
InChIKeyBXTYFPHKXUCCQB-NVXWUHKLSA-N
XLogP1.83
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]piperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanesulfonamide
CID 60705530
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]-2-ethylbutanamide
CID 108561912
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]piperidin-4-amine
CID 97341688
N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110823345
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R)-2-methoxycyclopentyl]piperidin-4-amine
CID 128551051
N-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide
CID 128995387
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyethanamine
CID 82692274
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine
CID 114507117
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine
CID 110721365

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]piperidin-4-amine (CID 129006048) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]piperidin-4-amine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(NC[C@H]2CCO[C@@H]2C(C)C)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]piperidin-4-amine?
The InChIKey is BXTYFPHKXUCCQB-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H32N4O3S/c1-12(2)17-15(7-10-25-17)11-19-16-5-8-22(9-6-16)26(23,24)18-13(3)20-21-14(18)4/h12,15-17,19H,5-11H2,1-4H3,(H,20,21)/t15-,17-/m1/s1.
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]piperidin-4-amine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]piperidin-4-amine has a molecular weight of 384.55 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 129006048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).