N-[[1-(5-methylhexanoyl)pyrrolidin-2-yl]methyl]methanesulfonamide

C13H26N2O3S — CID 171509803

IUPACN-[[1-(5-methylhexanoyl)pyrrolidin-2-yl]methyl]methanesulfonamide
SMILESCC(C)CCCC(=O)N1CCCC1CNS(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-11(2)6-4-8-13(16)15-9-5-7-12(15)10-14-19(3,17)18/h11-12,14H,4-10H2,1-3H3
InChIKeyRUVJEMQLCWJWAJ-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.35
Rot. Bonds7

About N-[[1-(5-methylhexanoyl)pyrrolidin-2-yl]methyl]methanesulfonamide

N-[[1-(5-methylhexanoyl)pyrrolidin-2-yl]methyl]methanesulfonamide (PubChem CID 171509803) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[1-(5-methylhexanoyl)pyrrolidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(5-methylhexanoyl)pyrrolidin-2-yl]methyl]methanesulfonamide
PubChem CID171509803
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-[[1-(5-methylhexanoyl)pyrrolidin-2-yl]methyl]methanesulfonamide
SMILESCC(C)CCCC(=O)N1CCCC1CNS(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-11(2)6-4-8-13(16)15-9-5-7-12(15)10-14-19(3,17)18/h11-12,14H,4-10H2,1-3H3
InChIKeyRUVJEMQLCWJWAJ-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)methanesulfonamide
CID 70047808
N-{[(3r)-1-Cyclopentyl-5-Oxopyrrolidin-3-Yl]methyl}methanesulfonamide
CID 99919595
3-Cyclopentyl-N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}propanamide
CID 91911002
N-[(3S)-1-(4-methylpentanoyl)piperidin-3-yl]methanesulfonamide
CID 36376678
N-[1-(cyclopentylcarbonyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide
CID 53016569
N-[(3S)-1-[2-amino-3-(3,3-difluorocyclobutyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 167752614
N-[1-(cyclopentanecarbonyl)piperidin-3-yl]methanesulfonamide
CID 45816907
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 51077018
N-(1-Cyclopentanecarbonylpyrrolidin-3-YL)ethane-1-sulfonamide
CID 53016562
N-{[1-(1-butyrylpiperidin-4-yl)pyrrolidin-3-yl]methyl}methanesulfonamide
CID 56760057
N-[(3R*,4S*)-1-(2-ethylbutanoyl)-4-isopropyl-3-pyrrolidinyl]methanesulfonamide
CID 72873073
N-(6-aminohexyl)-2-(3-methylbutyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide
CID 11580800

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-methylhexanoyl)pyrrolidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(5-methylhexanoyl)pyrrolidin-2-yl]methyl]methanesulfonamide (CID 171509803) is N-[[1-(5-methylhexanoyl)pyrrolidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(5-methylhexanoyl)pyrrolidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(5-methylhexanoyl)pyrrolidin-2-yl]methyl]methanesulfonamide is CC(C)CCCC(=O)N1CCCC1CNS(C)(=O)=O.
What is the InChIKey of N-[[1-(5-methylhexanoyl)pyrrolidin-2-yl]methyl]methanesulfonamide?
The InChIKey is RUVJEMQLCWJWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-11(2)6-4-8-13(16)15-9-5-7-12(15)10-14-19(3,17)18/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N-[[1-(5-methylhexanoyl)pyrrolidin-2-yl]methyl]methanesulfonamide?
N-[[1-(5-methylhexanoyl)pyrrolidin-2-yl]methyl]methanesulfonamide has a molecular weight of 290.43 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-methylhexanoyl)pyrrolidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 171509803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).