2-propan-2-ylsulfanylpropan-2-amine

C6H15NS — CID 117032548

IUPAC2-propan-2-ylsulfanylpropan-2-amine
SMILESCC(C)SC(C)(C)N
InChIInChI=1S/C6H15NS/c1-5(2)8-6(3,4)7/h5H,7H2,1-4H3
InChIKeyHZHPCCDPVQOOQG-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.82
Rot. Bonds2

About 2-propan-2-ylsulfanylpropan-2-amine

2-propan-2-ylsulfanylpropan-2-amine (PubChem CID 117032548) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is 2-propan-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound Name2-propan-2-ylsulfanylpropan-2-amine
PubChem CID117032548
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Name2-propan-2-ylsulfanylpropan-2-amine
SMILESCC(C)SC(C)(C)N
InChIInChI=1S/C6H15NS/c1-5(2)8-6(3,4)7/h5H,7H2,1-4H3
InChIKeyHZHPCCDPVQOOQG-UHFFFAOYSA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(Ethylthio)-2-methylpropan-2-amine
CID 12097387
1-Ethylsulfanylethane-1,1-diamine
CID 53985103
N-(2-propylsulfanylbutan-2-yl)thiohydroxylamine
CID 87075304
2-Ethylsulfanylpropan-2-amine
CID 87997679
2-(2-Aminopropan-2-ylsulfanyl)propan-2-amine
CID 88832636
2-(Methylthio)propan-2-amine
CID 88936861
1-Propan-2-ylsulfanylethanamine
CID 117032507
2-Methylsulfanylbutan-2-amine
CID 123436827
2-Aminopropan-2-yl methanedithioate
CID 126728874
N-iodo-2-methylsulfanylpropan-2-amine
CID 129028496
1,2-Dimethyl-1-sulfanylthietan-2-amine
CID 135231058
2-Methylthietan-1-ium-2-amine
CID 164043642

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanylpropan-2-amine?
The IUPAC name of 2-propan-2-ylsulfanylpropan-2-amine (CID 117032548) is 2-propan-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for 2-propan-2-ylsulfanylpropan-2-amine?
The canonical SMILES for 2-propan-2-ylsulfanylpropan-2-amine is CC(C)SC(C)(C)N.
What is the InChIKey of 2-propan-2-ylsulfanylpropan-2-amine?
The InChIKey is HZHPCCDPVQOOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-5(2)8-6(3,4)7/h5H,7H2,1-4H3.
What are the key properties of 2-propan-2-ylsulfanylpropan-2-amine?
2-propan-2-ylsulfanylpropan-2-amine has a molecular weight of 133.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanylpropan-2-amine is sourced from PubChem (CID 117032548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).