1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine

C18H29N5O2S — CID 111919625

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine
SMILESC/N=C(\NCc1cccc(S(N)(=O)=O)c1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C18H29N5O2S/c1-20-18(21-12-14-5-4-8-17(11-14)26(19,24)25)22-15-9-10-23(13-15)16-6-2-3-7-16/h4-5,8,11,15-16H,2-3,6-7,9-10,12-13H2,1H3,(H2,19,24,25)(H2,20,21,22)
InChIKeyDRYGYNCWWDMMBP-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.02
Rot. Bonds5

About 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine

1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine (PubChem CID 111919625) has the molecular formula C18H29N5O2S and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine
PubChem CID111919625
Molecular FormulaC18H29N5O2S
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine
SMILESC/N=C(\NCc1cccc(S(N)(=O)=O)c1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C18H29N5O2S/c1-20-18(21-12-14-5-4-8-17(11-14)26(19,24)25)22-15-9-10-23(13-15)16-6-2-3-7-16/h4-5,8,11,15-16H,2-3,6-7,9-10,12-13H2,1H3,(H2,19,24,25)(H2,20,21,22)
InChIKeyDRYGYNCWWDMMBP-UHFFFAOYSA-N
XLogP1.02
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(1-cyclopentylpyrrolidin-3-yl)-3-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-methylguanidine
CID 111919381
N-[3-[[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]butanamide
CID 111918623
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111918682
4-[[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111920075
3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide
CID 62982169
3-[[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 111918627
1-[2-(benzenesulfonamido)ethyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
CID 111918333
1-(1,3-benzodioxol-5-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
CID 111918611
2-methyl-1-(2-methylcyclopropyl)-3-[(3-sulfamoylphenyl)methyl]guanidine
CID 111961555
1-cyclopentyl-2-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)methyl]guanidine
CID 110991501
1-(1,3-benzodioxol-5-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 111918610
1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-(methanesulfonamido)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111918842

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine (CID 111919625) is 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine is C/N=C(\NCc1cccc(S(N)(=O)=O)c1)NC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine?
The InChIKey is DRYGYNCWWDMMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2S/c1-20-18(21-12-14-5-4-8-17(11-14)26(19,24)25)22-15-9-10-23(13-15)16-6-2-3-7-16/h4-5,8,11,15-16H,2-3,6-7,9-10,12-13H2,1H3,(H2,19,24,25)(H2,20,21,22).
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine?
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine has a molecular weight of 379.53 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine is sourced from PubChem (CID 111919625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).