2-propan-2-ylsulfanylethanamine;hydrochloride

C5H14ClNS — CID 54758985

IUPAC2-propan-2-ylsulfanylethanamine;hydrochloride
SMILESCC(C)SCCN.Cl
InChIInChI=1S/C5H13NS.ClH/c1-5(2)7-4-3-6;/h5H,3-4,6H2,1-2H3;1H
InChIKeyHYOKJISSQZYCIM-UHFFFAOYSA-N
MW155.69 g/mol
LogP1.51
Rot. Bonds3

About 2-propan-2-ylsulfanylethanamine;hydrochloride

2-propan-2-ylsulfanylethanamine;hydrochloride (PubChem CID 54758985) has the molecular formula C5H14ClNS and a molecular weight of 155.69 g/mol. Its IUPAC name is 2-propan-2-ylsulfanylethanamine;hydrochloride.

Molecular Properties

Compound Name2-propan-2-ylsulfanylethanamine;hydrochloride
PubChem CID54758985
Molecular FormulaC5H14ClNS
Molecular Weight155.69 g/mol
Exact Mass155.05
IUPAC Name2-propan-2-ylsulfanylethanamine;hydrochloride
SMILESCC(C)SCCN.Cl
InChIInChI=1S/C5H13NS.ClH/c1-5(2)7-4-3-6;/h5H,3-4,6H2,1-2H3;1H
InChIKeyHYOKJISSQZYCIM-UHFFFAOYSA-N
XLogP1.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.69
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-ylsulfanylethanamine
CID 15111098
2-(difluoromethylsulfanyl)ethanamine
CID 43249706
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CID 87634594
3-(2-aminoethylsulfanyl)butanoic acid
CID 61320284
1-propan-2-ylsulfanyl-3-(3-propan-2-ylsulfanylpropylsulfanyl)propane
CID 15793667
2-propan-2-ylsulfanylethanesulfonamide
CID 130505725
3,3-dimethyl-1-propan-2-ylsulfanylbutane
CID 59772812
4,4-dimethyl-1-propan-2-ylsulfanylpentane
CID 59397742
2-(2-aminoethylsulfanyl)-N-ethylpropanamide
CID 43117398
2-ethylsulfanylethanamine;hydrochloride
CID 3016870
[1-(2-propan-2-ylsulfanylethyl)azetidin-2-yl]methanamine
CID 84661694
tris(2-propan-2-ylsulfanylethyl) borate
CID 139922479

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanylethanamine;hydrochloride?
The IUPAC name of 2-propan-2-ylsulfanylethanamine;hydrochloride (CID 54758985) is 2-propan-2-ylsulfanylethanamine;hydrochloride.
What is the SMILES notation for 2-propan-2-ylsulfanylethanamine;hydrochloride?
The canonical SMILES for 2-propan-2-ylsulfanylethanamine;hydrochloride is CC(C)SCCN.Cl.
What is the InChIKey of 2-propan-2-ylsulfanylethanamine;hydrochloride?
The InChIKey is HYOKJISSQZYCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS.ClH/c1-5(2)7-4-3-6;/h5H,3-4,6H2,1-2H3;1H.
What are the key properties of 2-propan-2-ylsulfanylethanamine;hydrochloride?
2-propan-2-ylsulfanylethanamine;hydrochloride has a molecular weight of 155.69 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanylethanamine;hydrochloride is sourced from PubChem (CID 54758985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).