1-[2-[[5-(dimethylsulfamoylamino)-1-bicyclo[3.2.1]octanyl]amino]acetyl]-2-methylpyrrolidine

C17H32N4O3S — CID 123780268

IUPAC1-[2-[[5-(dimethylsulfamoylamino)-1-bicyclo[3.2.1]octanyl]amino]acetyl]-2-methylpyrrolidine
SMILESCC1CCCN1C(=O)CNC12CCCC(NS(=O)(=O)N(C)C)(CC1)C2
InChIInChI=1S/C17H32N4O3S/c1-14-6-4-11-21(14)15(22)12-18-16-7-5-8-17(13-16,10-9-16)19-25(23,24)20(2)3/h14,18-19H,4-13H2,1-3H3
InChIKeyRRXNOTMQHNSWOF-UHFFFAOYSA-N
MW372.54 g/mol
LogP0.83
Rot. Bonds6

About 1-[2-[[5-(dimethylsulfamoylamino)-1-bicyclo[3.2.1]octanyl]amino]acetyl]-2-methylpyrrolidine

1-[2-[[5-(dimethylsulfamoylamino)-1-bicyclo[3.2.1]octanyl]amino]acetyl]-2-methylpyrrolidine (PubChem CID 123780268) has the molecular formula C17H32N4O3S and a molecular weight of 372.54 g/mol. Its IUPAC name is 1-[2-[[5-(dimethylsulfamoylamino)-1-bicyclo[3.2.1]octanyl]amino]acetyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name1-[2-[[5-(dimethylsulfamoylamino)-1-bicyclo[3.2.1]octanyl]amino]acetyl]-2-methylpyrrolidine
PubChem CID123780268
Molecular FormulaC17H32N4O3S
Molecular Weight372.54 g/mol
Exact Mass372.22
IUPAC Name1-[2-[[5-(dimethylsulfamoylamino)-1-bicyclo[3.2.1]octanyl]amino]acetyl]-2-methylpyrrolidine
SMILESCC1CCCN1C(=O)CNC12CCCC(NS(=O)(=O)N(C)C)(CC1)C2
InChIInChI=1S/C17H32N4O3S/c1-14-6-4-11-21(14)15(22)12-18-16-7-5-8-17(13-16,10-9-16)19-25(23,24)20(2)3/h14,18-19H,4-13H2,1-3H3
InChIKeyRRXNOTMQHNSWOF-UHFFFAOYSA-N
XLogP0.83
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[5-(dimethylsulfamoylamino)-1-bicyclo[3.2.1]octanyl]amino]acetyl]-2-methylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-cyano-1-[2-[[3-(dimethylsulfamoylamino)-1-adamantyl]amino]acetyl]pyrrolidine
CID 11517119
1-[2-[[5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-bicyclo[3.2.1]octanyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 143174590
N-[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-1-adamantyl]-4-(trifluoromethyl)benzenesulfonamide
CID 163651152
1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(trifluoromethyl)cyclopropyl]urea
CID 143353955
2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]propanamide
CID 145388256
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
N-[3-[[2-[(2S)-2-aminopyrrolidin-1-yl]-2-oxoethyl]amino]-1-adamantyl]ethanesulfonamide
CID 70829805
1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78914825
tert-butyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate;ethane;formic acid
CID 143037682
3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 59282800
2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 78987116
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(dimethylsulfamoylamino)-1-bicyclo[3.2.1]octanyl]amino]acetyl]-2-methylpyrrolidine?
The IUPAC name of 1-[2-[[5-(dimethylsulfamoylamino)-1-bicyclo[3.2.1]octanyl]amino]acetyl]-2-methylpyrrolidine (CID 123780268) is 1-[2-[[5-(dimethylsulfamoylamino)-1-bicyclo[3.2.1]octanyl]amino]acetyl]-2-methylpyrrolidine.
What is the SMILES notation for 1-[2-[[5-(dimethylsulfamoylamino)-1-bicyclo[3.2.1]octanyl]amino]acetyl]-2-methylpyrrolidine?
The canonical SMILES for 1-[2-[[5-(dimethylsulfamoylamino)-1-bicyclo[3.2.1]octanyl]amino]acetyl]-2-methylpyrrolidine is CC1CCCN1C(=O)CNC12CCCC(NS(=O)(=O)N(C)C)(CC1)C2.
What is the InChIKey of 1-[2-[[5-(dimethylsulfamoylamino)-1-bicyclo[3.2.1]octanyl]amino]acetyl]-2-methylpyrrolidine?
The InChIKey is RRXNOTMQHNSWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3S/c1-14-6-4-11-21(14)15(22)12-18-16-7-5-8-17(13-16,10-9-16)19-25(23,24)20(2)3/h14,18-19H,4-13H2,1-3H3.
What are the key properties of 1-[2-[[5-(dimethylsulfamoylamino)-1-bicyclo[3.2.1]octanyl]amino]acetyl]-2-methylpyrrolidine?
1-[2-[[5-(dimethylsulfamoylamino)-1-bicyclo[3.2.1]octanyl]amino]acetyl]-2-methylpyrrolidine has a molecular weight of 372.54 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(dimethylsulfamoylamino)-1-bicyclo[3.2.1]octanyl]amino]acetyl]-2-methylpyrrolidine is sourced from PubChem (CID 123780268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).