N-methyl-1-[1-(2-propan-2-ylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine

C13H24N4O2S — CID 122560095

IUPACN-methyl-1-[1-(2-propan-2-ylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine
SMILESCNCC1CCCN(S(=O)(=O)c2ccnn2C(C)C)C1
InChIInChI=1S/C13H24N4O2S/c1-11(2)17-13(6-7-15-17)20(18,19)16-8-4-5-12(10-16)9-14-3/h6-7,11-12,14H,4-5,8-10H2,1-3H3
InChIKeyKTOCAZMSQVCWHI-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.08
Rot. Bonds5

About N-methyl-1-[1-(2-propan-2-ylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine

N-methyl-1-[1-(2-propan-2-ylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine (PubChem CID 122560095) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-methyl-1-[1-(2-propan-2-ylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-propan-2-ylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine
PubChem CID122560095
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-methyl-1-[1-(2-propan-2-ylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine
SMILESCNCC1CCCN(S(=O)(=O)c2ccnn2C(C)C)C1
InChIInChI=1S/C13H24N4O2S/c1-11(2)17-13(6-7-15-17)20(18,19)16-8-4-5-12(10-16)9-14-3/h6-7,11-12,14H,4-5,8-10H2,1-3H3
InChIKeyKTOCAZMSQVCWHI-UHFFFAOYSA-N
XLogP1.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124684745
3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide
CID 106022034
1-[1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 119961006
N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
CID 119961093
1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61203801
1-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961417
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61204741
N-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine
CID 120998995
N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119961271
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119998450

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-propan-2-ylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-propan-2-ylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine (CID 122560095) is N-methyl-1-[1-(2-propan-2-ylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-propan-2-ylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-propan-2-ylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine is CNCC1CCCN(S(=O)(=O)c2ccnn2C(C)C)C1.
What is the InChIKey of N-methyl-1-[1-(2-propan-2-ylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine?
The InChIKey is KTOCAZMSQVCWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-11(2)17-13(6-7-15-17)20(18,19)16-8-4-5-12(10-16)9-14-3/h6-7,11-12,14H,4-5,8-10H2,1-3H3.
What are the key properties of N-methyl-1-[1-(2-propan-2-ylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine?
N-methyl-1-[1-(2-propan-2-ylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine has a molecular weight of 300.43 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-propan-2-ylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine is sourced from PubChem (CID 122560095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).