N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine

C10H16N4O2S — CID 94210816

IUPACN-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCC[C@H](Nc2ncccn2)C1
InChIInChI=1S/C10H16N4O2S/c1-17(15,16)14-7-2-4-9(8-14)13-10-11-5-3-6-12-10/h3,5-6,9H,2,4,7-8H2,1H3,(H,11,12,13)/t9-/m0/s1
InChIKeyMHJNSQBKCQWKMO-VIFPVBQESA-N
MW256.33 g/mol
LogP0.31
Rot. Bonds3

About N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine

N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine (PubChem CID 94210816) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine
PubChem CID94210816
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC NameN-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCC[C@H](Nc2ncccn2)C1
InChIInChI=1S/C10H16N4O2S/c1-17(15,16)14-7-2-4-9(8-14)13-10-11-5-3-6-12-10/h3,5-6,9H,2,4,7-8H2,1H3,(H,11,12,13)/t9-/m0/s1
InChIKeyMHJNSQBKCQWKMO-VIFPVBQESA-N
XLogP0.31
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine (CID 94210816) is N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine is CS(=O)(=O)N1CCC[C@H](Nc2ncccn2)C1.
What is the InChIKey of N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine?
The InChIKey is MHJNSQBKCQWKMO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-17(15,16)14-7-2-4-9(8-14)13-10-11-5-3-6-12-10/h3,5-6,9H,2,4,7-8H2,1H3,(H,11,12,13)/t9-/m0/s1.
What are the key properties of N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine?
N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine has a molecular weight of 256.33 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 94210816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).