N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide

C10H21FN2O2S — CID 70939942

IUPACN-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide
SMILESCC(C)N1CC(F)CC1CN(C)S(C)(=O)=O
InChIInChI=1S/C10H21FN2O2S/c1-8(2)13-6-9(11)5-10(13)7-12(3)16(4,14)15/h8-10H,5-7H2,1-4H3
InChIKeyATIQTVYTILJZSL-UHFFFAOYSA-N
MW252.35 g/mol
LogP0.70
Rot. Bonds4

About N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide

N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide (PubChem CID 70939942) has the molecular formula C10H21FN2O2S and a molecular weight of 252.35 g/mol. Its IUPAC name is N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide
PubChem CID70939942
Molecular FormulaC10H21FN2O2S
Molecular Weight252.35 g/mol
Exact Mass252.13
IUPAC NameN-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide
SMILESCC(C)N1CC(F)CC1CN(C)S(C)(=O)=O
InChIInChI=1S/C10H21FN2O2S/c1-8(2)13-6-9(11)5-10(13)7-12(3)16(4,14)15/h8-10H,5-7H2,1-4H3
InChIKeyATIQTVYTILJZSL-UHFFFAOYSA-N
XLogP0.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide (CID 70939942) is N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide is CC(C)N1CC(F)CC1CN(C)S(C)(=O)=O.
What is the InChIKey of N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide?
The InChIKey is ATIQTVYTILJZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O2S/c1-8(2)13-6-9(11)5-10(13)7-12(3)16(4,14)15/h8-10H,5-7H2,1-4H3.
What are the key properties of N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide?
N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide has a molecular weight of 252.35 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 70939942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).