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

C15H28N4O2S — CID 75425329

IUPACN-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
SMILESCCCN(Cc1cnn(C)c1)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H28N4O2S/c1-4-7-18(12-15-9-16-17(2)10-15)11-14-6-5-8-19(13-14)22(3,20)21/h9-10,14H,4-8,11-13H2,1-3H3
InChIKeyFWDZDGSJCBQWTC-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.30
Rot. Bonds7

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

N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine (PubChem CID 75425329) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
PubChem CID75425329
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
SMILESCCCN(Cc1cnn(C)c1)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H28N4O2S/c1-4-7-18(12-15-9-16-17(2)10-15)11-14-6-5-8-19(13-14)22(3,20)21/h9-10,14H,4-8,11-13H2,1-3H3
InChIKeyFWDZDGSJCBQWTC-UHFFFAOYSA-N
XLogP1.30
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[(1-Methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[5.5]undecane
CID 97412811
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 45806340
3-Ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
CID 47034904
N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propane-1-sulfonamide
CID 53621134
2,2-Dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 71855029
2-[(4-Methylpyrazol-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine
CID 72141347
3-[2-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]propane-1-sulfonamide
CID 72141875
4-((1H-pyrazol-1-yl)methyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 73167590
N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine
CID 75425359
N,1-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-amine
CID 84587086
8-[(1-Methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane
CID 97372627
1-[(1-Methylpyrazol-4-yl)methyl]-8-methylsulfonyl-1,8-diazaspiro[4.5]decane
CID 97493665

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine (CID 75425329) is N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine is CCCN(Cc1cnn(C)c1)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine?
The InChIKey is FWDZDGSJCBQWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2S/c1-4-7-18(12-15-9-16-17(2)10-15)11-14-6-5-8-19(13-14)22(3,20)21/h9-10,14H,4-8,11-13H2,1-3H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine?
N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine has a molecular weight of 328.48 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 75425329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).