2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide

C10H22IN3OS — CID 111830858

IUPAC2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCSC)NCC1(C)COC1.I
InChIInChI=1S/C10H21N3OS.HI/c1-10(7-14-8-10)6-13-9(11-2)12-4-5-15-3;/h4-8H2,1-3H3,(H2,11,12,13);1H
InChIKeySNRFVPFDOJWCGE-UHFFFAOYSA-N
MW359.28 g/mol
LogP1.17
Rot. Bonds5

About 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide

2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide (PubChem CID 111830858) has the molecular formula C10H22IN3OS and a molecular weight of 359.28 g/mol. Its IUPAC name is 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
PubChem CID111830858
Molecular FormulaC10H22IN3OS
Molecular Weight359.28 g/mol
Exact Mass359.05
IUPAC Name2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCSC)NCC1(C)COC1.I
InChIInChI=1S/C10H21N3OS.HI/c1-10(7-14-8-10)6-13-9(11-2)12-4-5-15-3;/h4-8H2,1-3H3,(H2,11,12,13);1H
InChIKeySNRFVPFDOJWCGE-UHFFFAOYSA-N
XLogP1.17
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

1-[2-(4-chlorophenyl)sulfanylethyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
CID 111831503
2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine
CID 111828269
1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine
CID 111830833
2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111826914
2-methyl-1-(2-methylpropyl)-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111179193
2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(3-phenoxypropyl)guanidine;hydroiodide
CID 111832472
1-cyclopentyl-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
CID 111826643
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine
CID 109470732
2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111830972
1-(2-cyclopropylethyl)-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111604908
N-[(3-methyloxetan-3-yl)methyl]-3-methylsulfanylpropanamide
CID 78957563
2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 111829963

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide (CID 111830858) is 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide is C/N=C(\NCCSC)NCC1(C)COC1.I.
What is the InChIKey of 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide?
The InChIKey is SNRFVPFDOJWCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OS.HI/c1-10(7-14-8-10)6-13-9(11-2)12-4-5-15-3;/h4-8H2,1-3H3,(H2,11,12,13);1H.
What are the key properties of 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide?
2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide has a molecular weight of 359.28 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111830858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).