2-methyl-2-methylsulfonyl-N-(pyrimidin-2-ylmethyl)propan-1-amine

C10H17N3O2S — CID 79551498

IUPAC2-methyl-2-methylsulfonyl-N-(pyrimidin-2-ylmethyl)propan-1-amine
SMILESCC(C)(CNCc1ncccn1)S(C)(=O)=O
InChIInChI=1S/C10H17N3O2S/c1-10(2,16(3,14)15)8-11-7-9-12-5-4-6-13-9/h4-6,11H,7-8H2,1-3H3
InChIKeyYFCDSNKLCROMSM-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.39
Rot. Bonds5

About 2-methyl-2-methylsulfonyl-N-(pyrimidin-2-ylmethyl)propan-1-amine

2-methyl-2-methylsulfonyl-N-(pyrimidin-2-ylmethyl)propan-1-amine (PubChem CID 79551498) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyl-N-(pyrimidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyl-N-(pyrimidin-2-ylmethyl)propan-1-amine
PubChem CID79551498
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-methyl-2-methylsulfonyl-N-(pyrimidin-2-ylmethyl)propan-1-amine
SMILESCC(C)(CNCc1ncccn1)S(C)(=O)=O
InChIInChI=1S/C10H17N3O2S/c1-10(2,16(3,14)15)8-11-7-9-12-5-4-6-13-9/h4-6,11H,7-8H2,1-3H3
InChIKeyYFCDSNKLCROMSM-UHFFFAOYSA-N
XLogP0.39
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonyl-N-(pyrimidin-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-2-methylsulfonyl-N-(pyrimidin-2-ylmethyl)propan-1-amine (CID 79551498) is 2-methyl-2-methylsulfonyl-N-(pyrimidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-methylsulfonyl-N-(pyrimidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-2-methylsulfonyl-N-(pyrimidin-2-ylmethyl)propan-1-amine is CC(C)(CNCc1ncccn1)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonyl-N-(pyrimidin-2-ylmethyl)propan-1-amine?
The InChIKey is YFCDSNKLCROMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-10(2,16(3,14)15)8-11-7-9-12-5-4-6-13-9/h4-6,11H,7-8H2,1-3H3.
What are the key properties of 2-methyl-2-methylsulfonyl-N-(pyrimidin-2-ylmethyl)propan-1-amine?
2-methyl-2-methylsulfonyl-N-(pyrimidin-2-ylmethyl)propan-1-amine has a molecular weight of 243.33 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyl-N-(pyrimidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 79551498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).