N-[6-[3-(1H-pyrrol-2-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide

C15H23N3O3S — CID 131686063

IUPACN-[6-[3-(1H-pyrrol-2-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2(CCN(C(=O)CCc3ccc[nH]3)C2)C1
InChIInChI=1S/C15H23N3O3S/c1-22(20,21)17-13-9-15(10-13)6-8-18(11-15)14(19)5-4-12-3-2-7-16-12/h2-3,7,13,16-17H,4-6,8-11H2,1H3
InChIKeyFRDTZUUCSFGEBI-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.88
Rot. Bonds5

About N-[6-[3-(1H-pyrrol-2-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide

N-[6-[3-(1H-pyrrol-2-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide (PubChem CID 131686063) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[6-[3-(1H-pyrrol-2-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[3-(1H-pyrrol-2-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
PubChem CID131686063
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[6-[3-(1H-pyrrol-2-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2(CCN(C(=O)CCc3ccc[nH]3)C2)C1
InChIInChI=1S/C15H23N3O3S/c1-22(20,21)17-13-9-15(10-13)6-8-18(11-15)14(19)5-4-12-3-2-7-16-12/h2-3,7,13,16-17H,4-6,8-11H2,1H3
InChIKeyFRDTZUUCSFGEBI-UHFFFAOYSA-N
XLogP0.88
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896234
1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 131691561
N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98897052
N-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 131686166
1-(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 131689474
N-[7-(2-fluorobenzoyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897636
4-(2-hydroxyethyl)-1-methyl-9-[3-(1H-pyrrol-2-yl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 131690775
formic acid;2-(pyridin-4-ylmethyl)-8-[3-(1H-pyrrol-2-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 155870326
1-(11-prop-2-enyl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 131686245
N-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98894476
N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896232
N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896233

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(1H-pyrrol-2-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The IUPAC name of N-[6-[3-(1H-pyrrol-2-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide (CID 131686063) is N-[6-[3-(1H-pyrrol-2-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[6-[3-(1H-pyrrol-2-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The canonical SMILES for N-[6-[3-(1H-pyrrol-2-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide is CS(=O)(=O)NC1CC2(CCN(C(=O)CCc3ccc[nH]3)C2)C1.
What is the InChIKey of N-[6-[3-(1H-pyrrol-2-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The InChIKey is FRDTZUUCSFGEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-22(20,21)17-13-9-15(10-13)6-8-18(11-15)14(19)5-4-12-3-2-7-16-12/h2-3,7,13,16-17H,4-6,8-11H2,1H3.
What are the key properties of N-[6-[3-(1H-pyrrol-2-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
N-[6-[3-(1H-pyrrol-2-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(1H-pyrrol-2-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide is sourced from PubChem (CID 131686063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).