1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]-1-(furan-2-yl)ethyl]pyrrolidine

C14H22N4O3S — CID 134035677

IUPAC1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]-1-(furan-2-yl)ethyl]pyrrolidine
SMILESCN(CCC#N)S(=O)(=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C14H22N4O3S/c1-17(8-5-7-15)22(19,20)16-12-13(14-6-4-11-21-14)18-9-2-3-10-18/h4,6,11,13,16H,2-3,5,8-10,12H2,1H3
InChIKeyXBYHKLYIBDPBFO-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.10
Rot. Bonds8

About 1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]-1-(furan-2-yl)ethyl]pyrrolidine

1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]-1-(furan-2-yl)ethyl]pyrrolidine (PubChem CID 134035677) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]-1-(furan-2-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]-1-(furan-2-yl)ethyl]pyrrolidine
PubChem CID134035677
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]-1-(furan-2-yl)ethyl]pyrrolidine
SMILESCN(CCC#N)S(=O)(=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C14H22N4O3S/c1-17(8-5-7-15)22(19,20)16-12-13(14-6-4-11-21-14)18-9-2-3-10-18/h4,6,11,13,16H,2-3,5,8-10,12H2,1H3
InChIKeyXBYHKLYIBDPBFO-UHFFFAOYSA-N
XLogP1.10
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(ethylsulfamoyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 110621642
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
CID 51076118
1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide
CID 55245447
N-[[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]sulfamoyl]propan-1-amine
CID 110621685
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide
CID 116815945
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide
CID 112503410
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 51330775
1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide
CID 97078733
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide
CID 55559240
N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 7243445
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 51169408

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]-1-(furan-2-yl)ethyl]pyrrolidine?
The IUPAC name of 1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]-1-(furan-2-yl)ethyl]pyrrolidine (CID 134035677) is 1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]-1-(furan-2-yl)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]-1-(furan-2-yl)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]-1-(furan-2-yl)ethyl]pyrrolidine is CN(CCC#N)S(=O)(=O)NCC(c1ccco1)N1CCCC1.
What is the InChIKey of 1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]-1-(furan-2-yl)ethyl]pyrrolidine?
The InChIKey is XBYHKLYIBDPBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-17(8-5-7-15)22(19,20)16-12-13(14-6-4-11-21-14)18-9-2-3-10-18/h4,6,11,13,16H,2-3,5,8-10,12H2,1H3.
What are the key properties of 1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]-1-(furan-2-yl)ethyl]pyrrolidine?
1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]-1-(furan-2-yl)ethyl]pyrrolidine has a molecular weight of 326.42 g/mol, XLogP of 1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]-1-(furan-2-yl)ethyl]pyrrolidine is sourced from PubChem (CID 134035677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).