N-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-2-pyrazol-1-ylethanamine

C13H24N4O2S — CID 97045100

IUPACN-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-2-pyrazol-1-ylethanamine
SMILESCN(CCn1cccn1)C[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C13H24N4O2S/c1-15(9-10-16-7-4-6-14-16)11-13-5-3-8-17(12-13)20(2,18)19/h4,6-7,13H,3,5,8-12H2,1-2H3/t13-/m0/s1
InChIKeyJBVFVXPGHIMDQF-ZDUSSCGKSA-N
MW300.43 g/mol
LogP0.49
Rot. Bonds6

About N-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-2-pyrazol-1-ylethanamine

N-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-2-pyrazol-1-ylethanamine (PubChem CID 97045100) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-2-pyrazol-1-ylethanamine
PubChem CID97045100
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-2-pyrazol-1-ylethanamine
SMILESCN(CCn1cccn1)C[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C13H24N4O2S/c1-15(9-10-16-7-4-6-14-16)11-13-5-3-8-17(12-13)20(2,18)19/h4,6-7,13H,3,5,8-12H2,1-2H3/t13-/m0/s1
InChIKeyJBVFVXPGHIMDQF-ZDUSSCGKSA-N
XLogP0.49
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanenitrile
CID 113249300
methyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate
CID 79623241
N-[(1-methylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propan-1-amine
CID 97045093
N-(2-chloroethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 79622478
2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol
CID 102636407
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
CID 45238729
N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
CID 42286681
N-(2-bromoethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutanamine
CID 102861031
1-methylsulfonyl-4-(3-pyrazol-1-ylpropyl)-1,4-diazepane
CID 91833748
N-methyl-N'-[(1-methylsulfonylpiperidin-3-yl)methyl]-N'-propylethane-1,2-diamine
CID 79612634
4-N-ethyl-4-N-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexane-1,4-diamine
CID 79612396
2-[2-(dimethylamino)ethyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetic acid
CID 107425042

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-2-pyrazol-1-ylethanamine (CID 97045100) is N-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-2-pyrazol-1-ylethanamine is CN(CCn1cccn1)C[C@@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is JBVFVXPGHIMDQF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-15(9-10-16-7-4-6-14-16)11-13-5-3-8-17(12-13)20(2,18)19/h4,6-7,13H,3,5,8-12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-2-pyrazol-1-ylethanamine?
N-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 300.43 g/mol, XLogP of 0.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 97045100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).