N-[[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine

C14H26N4O2S — CID 79619913

IUPACN-[[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnn(CC2CCCN(S(C)(=O)=O)C2)c1
InChIInChI=1S/C14H26N4O2S/c1-12(2)15-7-14-8-16-17(10-14)9-13-5-4-6-18(11-13)21(3,19)20/h8,10,12-13,15H,4-7,9,11H2,1-3H3
InChIKeyYJMQUMIYCWTXIJ-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.05
Rot. Bonds6

About N-[[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine

N-[[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 79619913) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-[[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
PubChem CID79619913
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-[[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnn(CC2CCCN(S(C)(=O)=O)C2)c1
InChIInChI=1S/C14H26N4O2S/c1-12(2)15-7-14-8-16-17(10-14)9-13-5-4-6-18(11-13)21(3,19)20/h8,10,12-13,15H,4-7,9,11H2,1-3H3
InChIKeyYJMQUMIYCWTXIJ-UHFFFAOYSA-N
XLogP1.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol
CID 116799380
1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]ethanone
CID 79623164
3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106018210
1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227548
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611008
3-[[4-(2-chloroethyl)triazol-1-yl]methyl]-1-methylsulfonylpiperidine
CID 79622809
N-methyl-1-[2-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 79622565
1-methylsulfonyl-3-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]piperidine
CID 116805394
[1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322786
methyl 2-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]imidazole-4-carboxylate
CID 79613124
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol
CID 79622641
N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 65460455

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine (CID 79619913) is N-[[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cnn(CC2CCCN(S(C)(=O)=O)C2)c1.
What is the InChIKey of N-[[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is YJMQUMIYCWTXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-12(2)15-7-14-8-16-17(10-14)9-13-5-4-6-18(11-13)21(3,19)20/h8,10,12-13,15H,4-7,9,11H2,1-3H3.
What are the key properties of N-[[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
N-[[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 314.46 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 79619913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).