N,2-dimethyl-2-methylsulfanylpropan-1-amine;hydrochloride

C6H16ClNS — CID 126844411

IUPACN,2-dimethyl-2-methylsulfanylpropan-1-amine;hydrochloride
SMILESCNCC(C)(C)SC.Cl
InChIInChI=1S/C6H15NS.ClH/c1-6(2,8-4)5-7-3;/h7H,5H2,1-4H3;1H
InChIKeyFIOMRAIFMYOJPO-UHFFFAOYSA-N
MW169.72 g/mol
LogP1.77
Rot. Bonds3

About N,2-dimethyl-2-methylsulfanylpropan-1-amine;hydrochloride

N,2-dimethyl-2-methylsulfanylpropan-1-amine;hydrochloride (PubChem CID 126844411) has the molecular formula C6H16ClNS and a molecular weight of 169.72 g/mol. Its IUPAC name is N,2-dimethyl-2-methylsulfanylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,2-dimethyl-2-methylsulfanylpropan-1-amine;hydrochloride
PubChem CID126844411
Molecular FormulaC6H16ClNS
Molecular Weight169.72 g/mol
Exact Mass169.07
IUPAC NameN,2-dimethyl-2-methylsulfanylpropan-1-amine;hydrochloride
SMILESCNCC(C)(C)SC.Cl
InChIInChI=1S/C6H15NS.ClH/c1-6(2,8-4)5-7-3;/h7H,5H2,1-4H3;1H
InChIKeyFIOMRAIFMYOJPO-UHFFFAOYSA-N
XLogP1.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.72
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-methylsulfanylpropan-1-amine;hydrochloride?
The IUPAC name of N,2-dimethyl-2-methylsulfanylpropan-1-amine;hydrochloride (CID 126844411) is N,2-dimethyl-2-methylsulfanylpropan-1-amine;hydrochloride.
What is the SMILES notation for N,2-dimethyl-2-methylsulfanylpropan-1-amine;hydrochloride?
The canonical SMILES for N,2-dimethyl-2-methylsulfanylpropan-1-amine;hydrochloride is CNCC(C)(C)SC.Cl.
What is the InChIKey of N,2-dimethyl-2-methylsulfanylpropan-1-amine;hydrochloride?
The InChIKey is FIOMRAIFMYOJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS.ClH/c1-6(2,8-4)5-7-3;/h7H,5H2,1-4H3;1H.
What are the key properties of N,2-dimethyl-2-methylsulfanylpropan-1-amine;hydrochloride?
N,2-dimethyl-2-methylsulfanylpropan-1-amine;hydrochloride has a molecular weight of 169.72 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-methylsulfanylpropan-1-amine;hydrochloride is sourced from PubChem (CID 126844411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).