(2S)-2-(2-aminopropan-2-ylsulfanyl)-N,N-dimethylpropan-1-amine

C8H20N2S — CID 130204472

IUPAC(2S)-2-(2-aminopropan-2-ylsulfanyl)-N,N-dimethylpropan-1-amine
SMILESC[C@@H](CN(C)C)SC(C)(C)N
InChIInChI=1S/C8H20N2S/c1-7(6-10(4)5)11-8(2,3)9/h7H,6,9H2,1-5H3/t7-/m0/s1
InChIKeyATKFRHSAFDNXBW-ZETCQYMHSA-N
MW176.33 g/mol
LogP1.36
Rot. Bonds4

About (2S)-2-(2-aminopropan-2-ylsulfanyl)-N,N-dimethylpropan-1-amine

(2S)-2-(2-aminopropan-2-ylsulfanyl)-N,N-dimethylpropan-1-amine (PubChem CID 130204472) has the molecular formula C8H20N2S and a molecular weight of 176.33 g/mol. Its IUPAC name is (2S)-2-(2-aminopropan-2-ylsulfanyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name(2S)-2-(2-aminopropan-2-ylsulfanyl)-N,N-dimethylpropan-1-amine
PubChem CID130204472
Molecular FormulaC8H20N2S
Molecular Weight176.33 g/mol
Exact Mass176.13
IUPAC Name(2S)-2-(2-aminopropan-2-ylsulfanyl)-N,N-dimethylpropan-1-amine
SMILESC[C@@H](CN(C)C)SC(C)(C)N
InChIInChI=1S/C8H20N2S/c1-7(6-10(4)5)11-8(2,3)9/h7H,6,9H2,1-5H3/t7-/m0/s1
InChIKeyATKFRHSAFDNXBW-ZETCQYMHSA-N
XLogP1.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-aminopropan-2-ylsulfanyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of (2S)-2-(2-aminopropan-2-ylsulfanyl)-N,N-dimethylpropan-1-amine (CID 130204472) is (2S)-2-(2-aminopropan-2-ylsulfanyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for (2S)-2-(2-aminopropan-2-ylsulfanyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for (2S)-2-(2-aminopropan-2-ylsulfanyl)-N,N-dimethylpropan-1-amine is C[C@@H](CN(C)C)SC(C)(C)N.
What is the InChIKey of (2S)-2-(2-aminopropan-2-ylsulfanyl)-N,N-dimethylpropan-1-amine?
The InChIKey is ATKFRHSAFDNXBW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H20N2S/c1-7(6-10(4)5)11-8(2,3)9/h7H,6,9H2,1-5H3/t7-/m0/s1.
What are the key properties of (2S)-2-(2-aminopropan-2-ylsulfanyl)-N,N-dimethylpropan-1-amine?
(2S)-2-(2-aminopropan-2-ylsulfanyl)-N,N-dimethylpropan-1-amine has a molecular weight of 176.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-aminopropan-2-ylsulfanyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 130204472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).