(3R,4R)-3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine

C16H24N4O2S — CID 124865929

IUPAC(3R,4R)-3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCc1ccn2c(CN[C@@H]3CCN(S(C)(=O)=O)C[C@H]3C)cnc2c1
InChIInChI=1S/C16H24N4O2S/c1-12-4-7-20-14(10-18-16(20)8-12)9-17-15-5-6-19(11-13(15)2)23(3,21)22/h4,7-8,10,13,15,17H,5-6,9,11H2,1-3H3/t13-,15-/m1/s1
InChIKeyIBSZENIDNKNJPN-UKRRQHHQSA-N
MW336.46 g/mol
LogP1.40
Rot. Bonds4

About (3R,4R)-3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine

(3R,4R)-3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 124865929) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is (3R,4R)-3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name(3R,4R)-3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
PubChem CID124865929
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name(3R,4R)-3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCc1ccn2c(CN[C@@H]3CCN(S(C)(=O)=O)C[C@H]3C)cnc2c1
InChIInChI=1S/C16H24N4O2S/c1-12-4-7-20-14(10-18-16(20)8-12)9-17-15-5-6-19(11-13(15)2)23(3,21)22/h4,7-8,10,13,15,17H,5-6,9,11H2,1-3H3/t13-,15-/m1/s1
InChIKeyIBSZENIDNKNJPN-UKRRQHHQSA-N
XLogP1.40
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of (3R,4R)-3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine (CID 124865929) is (3R,4R)-3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for (3R,4R)-3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for (3R,4R)-3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine is Cc1ccn2c(CN[C@@H]3CCN(S(C)(=O)=O)C[C@H]3C)cnc2c1.
What is the InChIKey of (3R,4R)-3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is IBSZENIDNKNJPN-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-12-4-7-20-14(10-18-16(20)8-12)9-17-15-5-6-19(11-13(15)2)23(3,21)22/h4,7-8,10,13,15,17H,5-6,9,11H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of (3R,4R)-3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
(3R,4R)-3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 336.46 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 124865929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).