N-[[4-fluoro-1-(3-methylsulfanylbutan-2-yl)pyrrolidin-2-yl]methyl]-N-propan-2-ylmethanesulfonamide

C14H29FN2O2S2 — CID 153079531

IUPACN-[[4-fluoro-1-(3-methylsulfanylbutan-2-yl)pyrrolidin-2-yl]methyl]-N-propan-2-ylmethanesulfonamide
SMILESCSC(C)C(C)N1CC(F)CC1CN(C(C)C)S(C)(=O)=O
InChIInChI=1S/C14H29FN2O2S2/c1-10(2)17(21(6,18)19)9-14-7-13(15)8-16(14)11(3)12(4)20-5/h10-14H,7-9H2,1-6H3
InChIKeyVMZJFWLRMYVKNY-UHFFFAOYSA-N
MW340.53 g/mol
LogP2.21
Rot. Bonds7

About N-[[4-fluoro-1-(3-methylsulfanylbutan-2-yl)pyrrolidin-2-yl]methyl]-N-propan-2-ylmethanesulfonamide

N-[[4-fluoro-1-(3-methylsulfanylbutan-2-yl)pyrrolidin-2-yl]methyl]-N-propan-2-ylmethanesulfonamide (PubChem CID 153079531) has the molecular formula C14H29FN2O2S2 and a molecular weight of 340.53 g/mol. Its IUPAC name is N-[[4-fluoro-1-(3-methylsulfanylbutan-2-yl)pyrrolidin-2-yl]methyl]-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-(3-methylsulfanylbutan-2-yl)pyrrolidin-2-yl]methyl]-N-propan-2-ylmethanesulfonamide
PubChem CID153079531
Molecular FormulaC14H29FN2O2S2
Molecular Weight340.53 g/mol
Exact Mass340.17
IUPAC NameN-[[4-fluoro-1-(3-methylsulfanylbutan-2-yl)pyrrolidin-2-yl]methyl]-N-propan-2-ylmethanesulfonamide
SMILESCSC(C)C(C)N1CC(F)CC1CN(C(C)C)S(C)(=O)=O
InChIInChI=1S/C14H29FN2O2S2/c1-10(2)17(21(6,18)19)9-14-7-13(15)8-16(14)11(3)12(4)20-5/h10-14H,7-9H2,1-6H3
InChIKeyVMZJFWLRMYVKNY-UHFFFAOYSA-N
XLogP2.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(3-methylsulfanylbutan-2-yl)pyrrolidin-2-yl]methyl]-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-[[4-fluoro-1-(3-methylsulfanylbutan-2-yl)pyrrolidin-2-yl]methyl]-N-propan-2-ylmethanesulfonamide (CID 153079531) is N-[[4-fluoro-1-(3-methylsulfanylbutan-2-yl)pyrrolidin-2-yl]methyl]-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-[[4-fluoro-1-(3-methylsulfanylbutan-2-yl)pyrrolidin-2-yl]methyl]-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-[[4-fluoro-1-(3-methylsulfanylbutan-2-yl)pyrrolidin-2-yl]methyl]-N-propan-2-ylmethanesulfonamide is CSC(C)C(C)N1CC(F)CC1CN(C(C)C)S(C)(=O)=O.
What is the InChIKey of N-[[4-fluoro-1-(3-methylsulfanylbutan-2-yl)pyrrolidin-2-yl]methyl]-N-propan-2-ylmethanesulfonamide?
The InChIKey is VMZJFWLRMYVKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2O2S2/c1-10(2)17(21(6,18)19)9-14-7-13(15)8-16(14)11(3)12(4)20-5/h10-14H,7-9H2,1-6H3.
What are the key properties of N-[[4-fluoro-1-(3-methylsulfanylbutan-2-yl)pyrrolidin-2-yl]methyl]-N-propan-2-ylmethanesulfonamide?
N-[[4-fluoro-1-(3-methylsulfanylbutan-2-yl)pyrrolidin-2-yl]methyl]-N-propan-2-ylmethanesulfonamide has a molecular weight of 340.53 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(3-methylsulfanylbutan-2-yl)pyrrolidin-2-yl]methyl]-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 153079531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).