1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine

C13H24N4O2S — CID 66131885

IUPAC1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine
SMILESCC(C)n1cncc1CNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H24N4O2S/c1-11(2)17-10-14-8-13(17)9-15-12-4-6-16(7-5-12)20(3,18)19/h8,10-12,15H,4-7,9H2,1-3H3
InChIKeyUNMWNRADKFQYKD-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.98
Rot. Bonds5

About 1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine

1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine (PubChem CID 66131885) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine
PubChem CID66131885
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine
SMILESCC(C)n1cncc1CNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H24N4O2S/c1-11(2)17-10-14-8-13(17)9-15-12-4-6-16(7-5-12)20(3,18)19/h8,10-12,15H,4-7,9H2,1-3H3
InChIKeyUNMWNRADKFQYKD-UHFFFAOYSA-N
XLogP0.98
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 66161861
9-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 66162393
1-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]piperidin-2-one
CID 66163592
2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine
CID 66162773
1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
CID 113349407
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 115761672
N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide
CID 79385761
(1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
CID 81387906
1-methylsulfonyl-N-(2-phenylpropyl)piperidin-4-amine
CID 43432051
2-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopentan-1-amine
CID 66164359
2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43628772
N-ethyl-N-[3-[(3-propan-2-ylimidazol-4-yl)methylamino]propyl]methanesulfonamide
CID 66164749

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine (CID 66131885) is 1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine is CC(C)n1cncc1CNC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is UNMWNRADKFQYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-11(2)17-10-14-8-13(17)9-15-12-4-6-16(7-5-12)20(3,18)19/h8,10-12,15H,4-7,9H2,1-3H3.
What are the key properties of 1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine?
1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 300.43 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 66131885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).