N-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylmethanesulfonamide

C10H15FN4O2S — CID 154582512

IUPACN-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylmethanesulfonamide
SMILESCN(CC1CN(c2ncc(F)cn2)C1)S(C)(=O)=O
InChIInChI=1S/C10H15FN4O2S/c1-14(18(2,16)17)5-8-6-15(7-8)10-12-3-9(11)4-13-10/h3-4,8H,5-7H2,1-2H3
InChIKeyLSRASPFJNHECOA-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.06
Rot. Bonds4

About N-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylmethanesulfonamide

N-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 154582512) has the molecular formula C10H15FN4O2S and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylmethanesulfonamide
PubChem CID154582512
Molecular FormulaC10H15FN4O2S
Molecular Weight274.32 g/mol
Exact Mass274.09
IUPAC NameN-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylmethanesulfonamide
SMILESCN(CC1CN(c2ncc(F)cn2)C1)S(C)(=O)=O
InChIInChI=1S/C10H15FN4O2S/c1-14(18(2,16)17)5-8-6-15(7-8)10-12-3-9(11)4-13-10/h3-4,8H,5-7H2,1-2H3
InChIKeyLSRASPFJNHECOA-UHFFFAOYSA-N
XLogP-0.06
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide
CID 136542424
N-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 154582481
N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
CID 171691551
[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
CID 154736534
N-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide
CID 171702378
(2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid
CID 170154976
1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide
CID 122702602
(5R)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide
CID 126579874
N-[[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylcyclopropanecarboxamide
CID 154582457
N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 171335942
2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid
CID 135382824
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802329

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylmethanesulfonamide (CID 154582512) is N-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylmethanesulfonamide is CN(CC1CN(c2ncc(F)cn2)C1)S(C)(=O)=O.
What is the InChIKey of N-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is LSRASPFJNHECOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O2S/c1-14(18(2,16)17)5-8-6-15(7-8)10-12-3-9(11)4-13-10/h3-4,8H,5-7H2,1-2H3.
What are the key properties of N-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylmethanesulfonamide?
N-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 274.32 g/mol, XLogP of -0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 154582512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).