4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide

C13H21N3OS — CID 113493826

IUPAC4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide
SMILESCSC(C)CCNC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C13H21N3OS/c1-9(18-2)5-6-15-13(17)12-7-10(14)8-16(12)11-3-4-11/h7-9,11H,3-6,14H2,1-2H3,(H,15,17)
InChIKeySBMPJSRVQHOUND-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.28
Rot. Bonds6

About 4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide (PubChem CID 113493826) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide
PubChem CID113493826
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide
SMILESCSC(C)CCNC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C13H21N3OS/c1-9(18-2)5-6-15-13(17)12-7-10(14)8-16(12)11-3-4-11/h7-9,11H,3-6,14H2,1-2H3,(H,15,17)
InChIKeySBMPJSRVQHOUND-UHFFFAOYSA-N
XLogP2.28
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide (CID 113493826) is 4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide is CSC(C)CCNC(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide?
The InChIKey is SBMPJSRVQHOUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(18-2)5-6-15-13(17)12-7-10(14)8-16(12)11-3-4-11/h7-9,11H,3-6,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide is sourced from PubChem (CID 113493826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).