(3R)-3-aminopentanenitrile;methanesulfonic acid

C6H14N2O3S — CID 57350099

IUPAC(3R)-3-aminopentanenitrile;methanesulfonic acid
SMILESCC[C@@H](N)CC#N.CS(=O)(=O)O
InChIInChI=1S/C5H10N2.CH4O3S/c1-2-5(7)3-4-6;1-5(2,3)4/h5H,2-3,7H2,1H3;1H3,(H,2,3,4)/t5-;/m1./s1
InChIKeyYFUWGHZSEBRWEO-NUBCRITNSA-N
MW194.26 g/mol
LogP0.14
Rot. Bonds2

About (3R)-3-aminopentanenitrile;methanesulfonic acid

(3R)-3-aminopentanenitrile;methanesulfonic acid (PubChem CID 57350099) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is (3R)-3-aminopentanenitrile;methanesulfonic acid.

Molecular Properties

Compound Name(3R)-3-aminopentanenitrile;methanesulfonic acid
PubChem CID57350099
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name(3R)-3-aminopentanenitrile;methanesulfonic acid
SMILESCC[C@@H](N)CC#N.CS(=O)(=O)O
InChIInChI=1S/C5H10N2.CH4O3S/c1-2-5(7)3-4-6;1-5(2,3)4/h5H,2-3,7H2,1H3;1H3,(H,2,3,4)/t5-;/m1./s1
InChIKeyYFUWGHZSEBRWEO-NUBCRITNSA-N
XLogP0.14
TPSA104.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-aminopentanenitrile;methanesulfonic acid?
The IUPAC name of (3R)-3-aminopentanenitrile;methanesulfonic acid (CID 57350099) is (3R)-3-aminopentanenitrile;methanesulfonic acid.
What is the SMILES notation for (3R)-3-aminopentanenitrile;methanesulfonic acid?
The canonical SMILES for (3R)-3-aminopentanenitrile;methanesulfonic acid is CC[C@@H](N)CC#N.CS(=O)(=O)O.
What is the InChIKey of (3R)-3-aminopentanenitrile;methanesulfonic acid?
The InChIKey is YFUWGHZSEBRWEO-NUBCRITNSA-N. The full InChI is InChI=1S/C5H10N2.CH4O3S/c1-2-5(7)3-4-6;1-5(2,3)4/h5H,2-3,7H2,1H3;1H3,(H,2,3,4)/t5-;/m1./s1.
What are the key properties of (3R)-3-aminopentanenitrile;methanesulfonic acid?
(3R)-3-aminopentanenitrile;methanesulfonic acid has a molecular weight of 194.26 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-aminopentanenitrile;methanesulfonic acid is sourced from PubChem (CID 57350099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).