methanidyl-methyl-[3-methyl-2-(methylsulfonylmethyl)pentyl]azanium chloride

C10H23ClNO2S- — CID 58734095

IUPACmethanidyl-methyl-[3-methyl-2-(methylsulfonylmethyl)pentyl]azanium chloride
SMILES[CH2-][NH+](C)CC(CS(C)(=O)=O)C(C)CC.[Cl-]
InChIInChI=1S/C10H23NO2S.ClH/c1-6-9(2)10(7-11(3)4)8-14(5,12)13;/h9-11H,3,6-8H2,1-2,4-5H3;1H/p-1
InChIKeyNQXFAOGFFNOFKI-UHFFFAOYSA-M
MW256.82 g/mol
LogP-3.00
Rot. Bonds6

About methanidyl-methyl-[3-methyl-2-(methylsulfonylmethyl)pentyl]azanium chloride

methanidyl-methyl-[3-methyl-2-(methylsulfonylmethyl)pentyl]azanium chloride (PubChem CID 58734095) has the molecular formula C10H23ClNO2S- and a molecular weight of 256.82 g/mol. Its IUPAC name is methanidyl-methyl-[3-methyl-2-(methylsulfonylmethyl)pentyl]azanium chloride.

Molecular Properties

Compound Namemethanidyl-methyl-[3-methyl-2-(methylsulfonylmethyl)pentyl]azanium chloride
PubChem CID58734095
Molecular FormulaC10H23ClNO2S-
Molecular Weight256.82 g/mol
Exact Mass256.11
IUPAC Namemethanidyl-methyl-[3-methyl-2-(methylsulfonylmethyl)pentyl]azanium chloride
SMILES[CH2-][NH+](C)CC(CS(C)(=O)=O)C(C)CC.[Cl-]
InChIInChI=1S/C10H23NO2S.ClH/c1-6-9(2)10(7-11(3)4)8-14(5,12)13;/h9-11H,3,6-8H2,1-2,4-5H3;1H/p-1
InChIKeyNQXFAOGFFNOFKI-UHFFFAOYSA-M
XLogP-3.00
TPSA38.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.82
LogP ≤ 5-3.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylpropan-1-amine
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2-(1,1-dioxothian-4-yl)-2-fluoro-N-methylpropan-1-amine
CID 105480915
3-(1,1-dioxothiolan-3-yl)-3-fluoro-N-methylbutan-1-amine
CID 105480918
3-(1,1-dioxothian-4-yl)-3-fluoro-N-methylbutan-1-amine
CID 105499496
4-methyl-N-(2-methylsulfonylethyl)pentan-1-amine
CID 20811846
3-Ethyl-4-(methylsulfonylmethyl)pyrrolidin-1-ium
CID 58091816
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CID 58091817
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CID 60069675

Frequently Asked Questions

What is the IUPAC name of methanidyl-methyl-[3-methyl-2-(methylsulfonylmethyl)pentyl]azanium chloride?
The IUPAC name of methanidyl-methyl-[3-methyl-2-(methylsulfonylmethyl)pentyl]azanium chloride (CID 58734095) is methanidyl-methyl-[3-methyl-2-(methylsulfonylmethyl)pentyl]azanium chloride.
What is the SMILES notation for methanidyl-methyl-[3-methyl-2-(methylsulfonylmethyl)pentyl]azanium chloride?
The canonical SMILES for methanidyl-methyl-[3-methyl-2-(methylsulfonylmethyl)pentyl]azanium chloride is [CH2-][NH+](C)CC(CS(C)(=O)=O)C(C)CC.[Cl-].
What is the InChIKey of methanidyl-methyl-[3-methyl-2-(methylsulfonylmethyl)pentyl]azanium chloride?
The InChIKey is NQXFAOGFFNOFKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H23NO2S.ClH/c1-6-9(2)10(7-11(3)4)8-14(5,12)13;/h9-11H,3,6-8H2,1-2,4-5H3;1H/p-1.
What are the key properties of methanidyl-methyl-[3-methyl-2-(methylsulfonylmethyl)pentyl]azanium chloride?
methanidyl-methyl-[3-methyl-2-(methylsulfonylmethyl)pentyl]azanium chloride has a molecular weight of 256.82 g/mol, XLogP of -3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-methyl-[3-methyl-2-(methylsulfonylmethyl)pentyl]azanium chloride is sourced from PubChem (CID 58734095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).