N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanamine

C14H26N4O2S — CID 83046356

IUPACN-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanamine
SMILESCCCC1CCCCN1S(=O)(=O)c1c(CNC)n[nH]c1C
InChIInChI=1S/C14H26N4O2S/c1-4-7-12-8-5-6-9-18(12)21(19,20)14-11(2)16-17-13(14)10-15-3/h12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyGSWCOKXSBSPBLU-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.78
Rot. Bonds6

About N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanamine

N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanamine (PubChem CID 83046356) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanamine
PubChem CID83046356
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanamine
SMILESCCCC1CCCCN1S(=O)(=O)c1c(CNC)n[nH]c1C
InChIInChI=1S/C14H26N4O2S/c1-4-7-12-8-5-6-9-18(12)21(19,20)14-11(2)16-17-13(14)10-15-3/h12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyGSWCOKXSBSPBLU-UHFFFAOYSA-N
XLogP1.78
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanol
CID 83057456
1-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine
CID 82751223
1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine
CID 83224009
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-one
CID 79541168
N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83046351
N-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83044541
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine
CID 63765626
N-(2,2-dimethylcyclohexyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106071371
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119998506
1-[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine
CID 107396177
5-methyl-3-(methylaminomethyl)-N-(2-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 106073068
N-methyl-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83062064

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanamine (CID 83046356) is N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanamine is CCCC1CCCCN1S(=O)(=O)c1c(CNC)n[nH]c1C.
What is the InChIKey of N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanamine?
The InChIKey is GSWCOKXSBSPBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-4-7-12-8-5-6-9-18(12)21(19,20)14-11(2)16-17-13(14)10-15-3/h12,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanamine?
N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanamine has a molecular weight of 314.46 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanamine is sourced from PubChem (CID 83046356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).