2-methyl-2-methylsulfonyl-N-(pyrimidin-5-ylmethyl)propan-1-amine

C10H17N3O2S — CID 79551978

IUPAC2-methyl-2-methylsulfonyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
SMILESCC(C)(CNCc1cncnc1)S(C)(=O)=O
InChIInChI=1S/C10H17N3O2S/c1-10(2,16(3,14)15)7-11-4-9-5-12-8-13-6-9/h5-6,8,11H,4,7H2,1-3H3
InChIKeyWKSMUSDJRMPWGW-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.39
Rot. Bonds5

About 2-methyl-2-methylsulfonyl-N-(pyrimidin-5-ylmethyl)propan-1-amine

2-methyl-2-methylsulfonyl-N-(pyrimidin-5-ylmethyl)propan-1-amine (PubChem CID 79551978) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyl-N-(pyrimidin-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
PubChem CID79551978
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-methyl-2-methylsulfonyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
SMILESCC(C)(CNCc1cncnc1)S(C)(=O)=O
InChIInChI=1S/C10H17N3O2S/c1-10(2,16(3,14)15)7-11-4-9-5-12-8-13-6-9/h5-6,8,11H,4,7H2,1-3H3
InChIKeyWKSMUSDJRMPWGW-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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Related Compounds

2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylpropan-1-amine
CID 79551486
N-[(3,5-dimethylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79551848
4-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 103256249
2-methyl-2-methylsulfonyl-N-(pyrimidin-2-ylmethyl)propan-1-amine
CID 79551498
3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol
CID 103708150
N-[(3,4-dibromophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 115693255
N-[(3-bromo-5-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79710055
2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol
CID 115623487
2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 78963637
2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 78966606
2-tert-butylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 115614461
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 79563477

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonyl-N-(pyrimidin-5-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-2-methylsulfonyl-N-(pyrimidin-5-ylmethyl)propan-1-amine (CID 79551978) is 2-methyl-2-methylsulfonyl-N-(pyrimidin-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-methylsulfonyl-N-(pyrimidin-5-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-2-methylsulfonyl-N-(pyrimidin-5-ylmethyl)propan-1-amine is CC(C)(CNCc1cncnc1)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonyl-N-(pyrimidin-5-ylmethyl)propan-1-amine?
The InChIKey is WKSMUSDJRMPWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-10(2,16(3,14)15)7-11-4-9-5-12-8-13-6-9/h5-6,8,11H,4,7H2,1-3H3.
What are the key properties of 2-methyl-2-methylsulfonyl-N-(pyrimidin-5-ylmethyl)propan-1-amine?
2-methyl-2-methylsulfonyl-N-(pyrimidin-5-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-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 79551978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).