2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide

C16H24IN3O2S — CID 120662779

IUPAC2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
SMILESCS(=O)(=O)C1(C/N=C(\N)Nc2cccc3c2CCCC3)CC1.I
InChIInChI=1S/C16H23N3O2S.HI/c1-22(20,21)16(9-10-16)11-18-15(17)19-14-8-4-6-12-5-2-3-7-13(12)14;/h4,6,8H,2-3,5,7,9-11H2,1H3,(H3,17,18,19);1H
InChIKeyRSGJLBZHGNAPJB-UHFFFAOYSA-N
MW449.36 g/mol
LogP2.49
Rot. Bonds4

About 2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide

2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide (PubChem CID 120662779) has the molecular formula C16H24IN3O2S and a molecular weight of 449.36 g/mol. Its IUPAC name is 2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
PubChem CID120662779
Molecular FormulaC16H24IN3O2S
Molecular Weight449.36 g/mol
Exact Mass449.06
IUPAC Name2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
SMILESCS(=O)(=O)C1(C/N=C(\N)Nc2cccc3c2CCCC3)CC1.I
InChIInChI=1S/C16H23N3O2S.HI/c1-22(20,21)16(9-10-16)11-18-15(17)19-14-8-4-6-12-5-2-3-7-13(12)14;/h4,6,8H,2-3,5,7,9-11H2,1H3,(H3,17,18,19);1H
InChIKeyRSGJLBZHGNAPJB-UHFFFAOYSA-N
XLogP2.49
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.36
LogP ≤ 52.49
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720591
2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 122082383
2-(oxan-4-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 119142322
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine
CID 120662740
2-pent-3-enyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111813693
2-[3-(dimethylamino)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720610
2-[(1-methylsulfonylcyclopentyl)methyl]-1-phenylguanidine;hydroiodide
CID 120973744
2-(5-methoxypentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721526
3-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N,N-dimethylpropanamide
CID 111721263
2-[(5-ethylsulfonylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 120662474
2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 119147176
4-[[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111720979

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The IUPAC name of 2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide (CID 120662779) is 2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The canonical SMILES for 2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide is CS(=O)(=O)C1(C/N=C(\N)Nc2cccc3c2CCCC3)CC1.I.
What is the InChIKey of 2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The InChIKey is RSGJLBZHGNAPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S.HI/c1-22(20,21)16(9-10-16)11-18-15(17)19-14-8-4-6-12-5-2-3-7-13(12)14;/h4,6,8H,2-3,5,7,9-11H2,1H3,(H3,17,18,19);1H.
What are the key properties of 2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide has a molecular weight of 449.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide is sourced from PubChem (CID 120662779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).