1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine

C15H21N3O2S — CID 120662740

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine
SMILESCS(=O)(=O)C1(C/N=C(\N)Nc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C15H21N3O2S/c1-21(19,20)15(7-8-15)10-17-14(16)18-13-6-5-11-3-2-4-12(11)9-13/h5-6,9H,2-4,7-8,10H2,1H3,(H3,16,17,18)
InChIKeyAWFPWMLRNRIMIS-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.48
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine

1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine (PubChem CID 120662740) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine
PubChem CID120662740
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine
SMILESCS(=O)(=O)C1(C/N=C(\N)Nc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C15H21N3O2S/c1-21(19,20)15(7-8-15)10-17-14(16)18-13-6-5-11-3-2-4-12(11)9-13/h5-6,9H,2-4,7-8,10H2,1H3,(H3,16,17,18)
InChIKeyAWFPWMLRNRIMIS-UHFFFAOYSA-N
XLogP1.48
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfinylcyclopropyl)methyl]guanidine;hydroiodide
CID 120728008
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine
CID 111078471
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(dimethylamino)oxan-4-yl]methyl]guanidine
CID 111809250
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(methanesulfonamido)propyl]guanidine;hydroiodide
CID 111063702
2-[(1-methylsulfonylcyclopentyl)methyl]-1-phenylguanidine;hydroiodide
CID 120973744
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methylsulfonylethoxy)ethyl]guanidine
CID 111819792
1-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(dimethylamino)thiolan-3-yl]methyl]guanidine;hydroiodide
CID 119142416
1-(3,5-dimethylphenyl)-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine;hydroiodide
CID 120973782
2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 120662779
1-(3-chloro-4-methoxyphenyl)-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine;hydroiodide
CID 120973790
2-but-3-ynyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 119147795
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine
CID 119118923

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine (CID 120662740) is 1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine is CS(=O)(=O)C1(C/N=C(\N)Nc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine?
The InChIKey is AWFPWMLRNRIMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-21(19,20)15(7-8-15)10-17-14(16)18-13-6-5-11-3-2-4-12(11)9-13/h5-6,9H,2-4,7-8,10H2,1H3,(H3,16,17,18).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine?
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine has a molecular weight of 307.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine is sourced from PubChem (CID 120662740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).