[(2R)-2-hydroxypropyl]-[2-[(5-methylthiophen-2-yl)methylazaniumyl]ethyl]azanium

C11H22N2OS+2 — CID 7458609

IUPAC[(2R)-2-hydroxypropyl]-[2-[(5-methylthiophen-2-yl)methylazaniumyl]ethyl]azanium
SMILESCc1ccc(C[NH2+]CC[NH2+]C[C@@H](C)O)s1
InChIInChI=1S/C11H20N2OS/c1-9(14)7-12-5-6-13-8-11-4-3-10(2)15-11/h3-4,9,12-14H,5-8H2,1-2H3/p+2/t9-/m1/s1
InChIKeyJZZKGESVCWVVPX-SECBINFHSA-P
MW230.38 g/mol
LogP-0.94
Rot. Bonds7

About [(2R)-2-hydroxypropyl]-[2-[(5-methylthiophen-2-yl)methylazaniumyl]ethyl]azanium

[(2R)-2-hydroxypropyl]-[2-[(5-methylthiophen-2-yl)methylazaniumyl]ethyl]azanium (PubChem CID 7458609) has the molecular formula C11H22N2OS+2 and a molecular weight of 230.38 g/mol. Its IUPAC name is [(2R)-2-hydroxypropyl]-[2-[(5-methylthiophen-2-yl)methylazaniumyl]ethyl]azanium.

Molecular Properties

Compound Name[(2R)-2-hydroxypropyl]-[2-[(5-methylthiophen-2-yl)methylazaniumyl]ethyl]azanium
PubChem CID7458609
Molecular FormulaC11H22N2OS+2
Molecular Weight230.38 g/mol
Exact Mass230.14
IUPAC Name[(2R)-2-hydroxypropyl]-[2-[(5-methylthiophen-2-yl)methylazaniumyl]ethyl]azanium
SMILESCc1ccc(C[NH2+]CC[NH2+]C[C@@H](C)O)s1
InChIInChI=1S/C11H20N2OS/c1-9(14)7-12-5-6-13-8-11-4-3-10(2)15-11/h3-4,9,12-14H,5-8H2,1-2H3/p+2/t9-/m1/s1
InChIKeyJZZKGESVCWVVPX-SECBINFHSA-P
XLogP-0.94
TPSA53.45 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2R)-2-hydroxypropyl]-[2-[(5-methylthiophen-2-yl)methylazaniumyl]ethyl]azanium with MolForge

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Related Compounds

1-(5-methylthiophen-2-yl)propan-2-ol
CID 13111508
methylsulfonyl-[2-[(5-methylthiophen-2-yl)methylazaniumyl]ethyl]azanide
CID 28732430
(5-methylthiophen-2-yl)methyl-(thiophen-2-ylmethyl)azanium
CID 7407070
2-methyl-5-(2-methylbutyl)thiophene
CID 88977809
(2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol
CID 96500046
2-(2-methoxy-5-methylphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]azanium
CID 8851252
1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 24713261
4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol
CID 111448862
1-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]butan-2-ol
CID 24713710
(2R)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 18656698
3-methyl-3-[(5-methylthiophen-2-yl)methylamino]butan-2-ol
CID 115866636
1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol
CID 24714016

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxypropyl]-[2-[(5-methylthiophen-2-yl)methylazaniumyl]ethyl]azanium?
The IUPAC name of [(2R)-2-hydroxypropyl]-[2-[(5-methylthiophen-2-yl)methylazaniumyl]ethyl]azanium (CID 7458609) is [(2R)-2-hydroxypropyl]-[2-[(5-methylthiophen-2-yl)methylazaniumyl]ethyl]azanium.
What is the SMILES notation for [(2R)-2-hydroxypropyl]-[2-[(5-methylthiophen-2-yl)methylazaniumyl]ethyl]azanium?
The canonical SMILES for [(2R)-2-hydroxypropyl]-[2-[(5-methylthiophen-2-yl)methylazaniumyl]ethyl]azanium is Cc1ccc(C[NH2+]CC[NH2+]C[C@@H](C)O)s1.
What is the InChIKey of [(2R)-2-hydroxypropyl]-[2-[(5-methylthiophen-2-yl)methylazaniumyl]ethyl]azanium?
The InChIKey is JZZKGESVCWVVPX-SECBINFHSA-P. The full InChI is InChI=1S/C11H20N2OS/c1-9(14)7-12-5-6-13-8-11-4-3-10(2)15-11/h3-4,9,12-14H,5-8H2,1-2H3/p+2/t9-/m1/s1.
What are the key properties of [(2R)-2-hydroxypropyl]-[2-[(5-methylthiophen-2-yl)methylazaniumyl]ethyl]azanium?
[(2R)-2-hydroxypropyl]-[2-[(5-methylthiophen-2-yl)methylazaniumyl]ethyl]azanium has a molecular weight of 230.38 g/mol, XLogP of -0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxypropyl]-[2-[(5-methylthiophen-2-yl)methylazaniumyl]ethyl]azanium is sourced from PubChem (CID 7458609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).