N,N-dimethyl-1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine

C12H22N4O2S — CID 54877014

IUPACN,N-dimethyl-1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCC(CN(C)C)CC1
InChIInChI=1S/C12H22N4O2S/c1-10-12(8-13-14-10)19(17,18)16-6-4-11(5-7-16)9-15(2)3/h8,11H,4-7,9H2,1-3H3,(H,13,14)
InChIKeyGAUNMHMNCXVDHK-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.68
Rot. Bonds4

About N,N-dimethyl-1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine

N,N-dimethyl-1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine (PubChem CID 54877014) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine
PubChem CID54877014
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN,N-dimethyl-1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCC(CN(C)C)CC1
InChIInChI=1S/C12H22N4O2S/c1-10-12(8-13-14-10)19(17,18)16-6-4-11(5-7-16)9-15(2)3/h8,11H,4-7,9H2,1-3H3,(H,13,14)
InChIKeyGAUNMHMNCXVDHK-UHFFFAOYSA-N
XLogP0.68
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine (CID 54877014) is N,N-dimethyl-1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine is Cc1[nH]ncc1S(=O)(=O)N1CCC(CN(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine?
The InChIKey is GAUNMHMNCXVDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10-12(8-13-14-10)19(17,18)16-6-4-11(5-7-16)9-15(2)3/h8,11H,4-7,9H2,1-3H3,(H,13,14).
What are the key properties of N,N-dimethyl-1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine?
N,N-dimethyl-1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine has a molecular weight of 286.40 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 54877014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).