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

C20H36N4O2S — CID 97341688

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]piperidin-4-amine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1
InChIInChI=1S/C20H36N4O2S/c1-13(2)18-7-6-14(3)12-19(18)21-17-8-10-24(11-9-17)27(25,26)20-15(4)22-23-16(20)5/h13-14,17-19,21H,6-12H2,1-5H3,(H,22,23)/t14-,18-,19-/m1/s1
InChIKeyVUWPBZSEUOCZGI-NIKGAXFTSA-N
MW396.60 g/mol
LogP3.23
Rot. Bonds5

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

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]piperidin-4-amine (PubChem CID 97341688) has the molecular formula C20H36N4O2S and a molecular weight of 396.60 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]piperidin-4-amine
PubChem CID97341688
Molecular FormulaC20H36N4O2S
Molecular Weight396.60 g/mol
Exact Mass396.26
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]piperidin-4-amine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1
InChIInChI=1S/C20H36N4O2S/c1-13(2)18-7-6-14(3)12-19(18)21-17-8-10-24(11-9-17)27(25,26)20-15(4)22-23-16(20)5/h13-14,17-19,21H,6-12H2,1-5H3,(H,22,23)/t14-,18-,19-/m1/s1
InChIKeyVUWPBZSEUOCZGI-NIKGAXFTSA-N
XLogP3.23
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R)-2-methoxycyclopentyl]piperidin-4-amine
CID 128551051
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
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
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-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]piperidin-4-amine
CID 129006048
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'-hydroxypiperidine-4-carboximidamide
CID 77038288
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine
CID 110721365
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

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]piperidin-4-amine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]piperidin-4-amine (CID 97341688) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]piperidin-4-amine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]piperidin-4-amine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]piperidin-4-amine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]piperidin-4-amine?
The InChIKey is VUWPBZSEUOCZGI-NIKGAXFTSA-N. The full InChI is InChI=1S/C20H36N4O2S/c1-13(2)18-7-6-14(3)12-19(18)21-17-8-10-24(11-9-17)27(25,26)20-15(4)22-23-16(20)5/h13-14,17-19,21H,6-12H2,1-5H3,(H,22,23)/t14-,18-,19-/m1/s1.
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]piperidin-4-amine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]piperidin-4-amine has a molecular weight of 396.60 g/mol, XLogP of 3.23, 5 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]-N-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]piperidin-4-amine is sourced from PubChem (CID 97341688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).