N-(cyanomethyl)-5-methyl-N-propyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C15H21N3O4S — CID 60560153

IUPACN-(cyanomethyl)-5-methyl-N-propyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCCCN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1
InChIInChI=1S/C15H21N3O4S/c1-3-7-17(10-6-16)15(19)13-11-14(12(2)22-13)23(20,21)18-8-4-5-9-18/h11H,3-5,7-10H2,1-2H3
InChIKeyLSKQGQLWTMXXHT-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.75
Rot. Bonds6

About N-(cyanomethyl)-5-methyl-N-propyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

N-(cyanomethyl)-5-methyl-N-propyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 60560153) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(cyanomethyl)-5-methyl-N-propyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-5-methyl-N-propyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID60560153
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-(cyanomethyl)-5-methyl-N-propyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCCCN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1
InChIInChI=1S/C15H21N3O4S/c1-3-7-17(10-6-16)15(19)13-11-14(12(2)22-13)23(20,21)18-8-4-5-9-18/h11H,3-5,7-10H2,1-2H3
InChIKeyLSKQGQLWTMXXHT-UHFFFAOYSA-N
XLogP1.75
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883965
2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid
CID 119954814
2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid
CID 119194844
N,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride
CID 119441800
(4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55752514
5-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 49394055
2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid
CID 119223538
N-(1,3-benzothiazol-2-yl)-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55759058
5-methyl-N-[(1-phenylcyclopropyl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758629
(3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55761088
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 51955252
5-methyl-4-(1,4-thiazepan-4-ylsulfonyl)furan-2-carboxylic acid
CID 62805219

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-5-methyl-N-propyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-(cyanomethyl)-5-methyl-N-propyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 60560153) is N-(cyanomethyl)-5-methyl-N-propyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-5-methyl-N-propyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-(cyanomethyl)-5-methyl-N-propyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is CCCN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1.
What is the InChIKey of N-(cyanomethyl)-5-methyl-N-propyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is LSKQGQLWTMXXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-3-7-17(10-6-16)15(19)13-11-14(12(2)22-13)23(20,21)18-8-4-5-9-18/h11H,3-5,7-10H2,1-2H3.
What are the key properties of N-(cyanomethyl)-5-methyl-N-propyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
N-(cyanomethyl)-5-methyl-N-propyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-5-methyl-N-propyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 60560153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).