N-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide

C9H18N2O2S — CID 115763587

IUPACN-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide
SMILESCC(CNC(=O)N1CCCC1)S(C)=O
InChIInChI=1S/C9H18N2O2S/c1-8(14(2)13)7-10-9(12)11-5-3-4-6-11/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyXXLDYFDSBUXTEI-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.56
Rot. Bonds3

About N-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide

N-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide (PubChem CID 115763587) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide
PubChem CID115763587
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide
SMILESCC(CNC(=O)N1CCCC1)S(C)=O
InChIInChI=1S/C9H18N2O2S/c1-8(14(2)13)7-10-9(12)11-5-3-4-6-11/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyXXLDYFDSBUXTEI-UHFFFAOYSA-N
XLogP0.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylsulfinylbutyl)piperidine-1-carboxamide
CID 116657935
N-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide
CID 115302691
N-[2-(methylamino)propyl]pyrrolidine-1-carboxamide
CID 103512851
N-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide
CID 115629639
3-(azocane-1-carbonylamino)-2-methylpropanoic acid
CID 62669756
3-(azepane-1-carbonylamino)-2-methylpropanoic acid
CID 62671321
N-[2-(dimethylamino)propyl]piperidine-1-carboxamide
CID 115581577
N-(2-methylsulfanylpropyl)piperidine-1-carboxamide
CID 115760436
2-[3-methyl-1-(2-methylsulfinylpropylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102659149
N-(2-amino-3-hydroxybutyl)piperidine-1-carboxamide
CID 79154941
1-(3-methylsulfinylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 113490689
N-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide
CID 79162037

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide (CID 115763587) is N-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide is CC(CNC(=O)N1CCCC1)S(C)=O.
What is the InChIKey of N-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is XXLDYFDSBUXTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-8(14(2)13)7-10-9(12)11-5-3-4-6-11/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of N-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide?
N-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 218.32 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 115763587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).