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

C16H28N4O3S — CID 128551051

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R)-2-methoxycyclopentyl]piperidin-4-amine
SMILESCO[C@@H]1CCC[C@H]1NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C16H28N4O3S/c1-11-16(12(2)19-18-11)24(21,22)20-9-7-13(8-10-20)17-14-5-4-6-15(14)23-3/h13-15,17H,4-10H2,1-3H3,(H,18,19)/t14-,15-/m1/s1
InChIKeyMMARIYSRHVJQHP-HUUCEWRRSA-N
MW356.49 g/mol
LogP1.34
Rot. Bonds5

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

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R)-2-methoxycyclopentyl]piperidin-4-amine (PubChem CID 128551051) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R)-2-methoxycyclopentyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R)-2-methoxycyclopentyl]piperidin-4-amine
PubChem CID128551051
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R)-2-methoxycyclopentyl]piperidin-4-amine
SMILESCO[C@@H]1CCC[C@H]1NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C16H28N4O3S/c1-11-16(12(2)19-18-11)24(21,22)20-9-7-13(8-10-20)17-14-5-4-6-15(14)23-3/h13-15,17H,4-10H2,1-3H3,(H,18,19)/t14-,15-/m1/s1
InChIKeyMMARIYSRHVJQHP-HUUCEWRRSA-N
XLogP1.34
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R)-2-methoxycyclopentyl]piperidin-4-amine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R)-2-methoxycyclopentyl]piperidin-4-amine (CID 128551051) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R)-2-methoxycyclopentyl]piperidin-4-amine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R)-2-methoxycyclopentyl]piperidin-4-amine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R)-2-methoxycyclopentyl]piperidin-4-amine is CO[C@@H]1CCC[C@H]1NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R)-2-methoxycyclopentyl]piperidin-4-amine?
The InChIKey is MMARIYSRHVJQHP-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-11-16(12(2)19-18-11)24(21,22)20-9-7-13(8-10-20)17-14-5-4-6-15(14)23-3/h13-15,17H,4-10H2,1-3H3,(H,18,19)/t14-,15-/m1/s1.
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R)-2-methoxycyclopentyl]piperidin-4-amine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R)-2-methoxycyclopentyl]piperidin-4-amine has a molecular weight of 356.49 g/mol, XLogP of 1.34, 5 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-[(1R,2R)-2-methoxycyclopentyl]piperidin-4-amine is sourced from PubChem (CID 128551051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).