N,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine

C14H24N4O2S — CID 99950077

IUPACN,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESCN(C)c1ncc(CN2CCC[C@H](CS(C)(=O)=O)C2)cn1
InChIInChI=1S/C14H24N4O2S/c1-17(2)14-15-7-13(8-16-14)10-18-6-4-5-12(9-18)11-21(3,19)20/h7-8,12H,4-6,9-11H2,1-3H3/t12-/m0/s1
InChIKeyPTBOVIBHUXQYIU-LBPRGKRZSA-N
MW312.44 g/mol
LogP0.80
Rot. Bonds5

About N,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine

N,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 99950077) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
PubChem CID99950077
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESCN(C)c1ncc(CN2CCC[C@H](CS(C)(=O)=O)C2)cn1
InChIInChI=1S/C14H24N4O2S/c1-17(2)14-15-7-13(8-16-14)10-18-6-4-5-12(9-18)11-21(3,19)20/h7-8,12H,4-6,9-11H2,1-3H3/t12-/m0/s1
InChIKeyPTBOVIBHUXQYIU-LBPRGKRZSA-N
XLogP0.80
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine (CID 99950077) is N,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine is CN(C)c1ncc(CN2CCC[C@H](CS(C)(=O)=O)C2)cn1.
What is the InChIKey of N,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is PTBOVIBHUXQYIU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-17(2)14-15-7-13(8-16-14)10-18-6-4-5-12(9-18)11-21(3,19)20/h7-8,12H,4-6,9-11H2,1-3H3/t12-/m0/s1.
What are the key properties of N,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine?
N,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 312.44 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 99950077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).