3,3-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)butan-1-amine

C9H16N2OS — CID 106921795

IUPAC3,3-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)butan-1-amine
SMILESCC(C)(C)C(CN)Sc1ncco1
InChIInChI=1S/C9H16N2OS/c1-9(2,3)7(6-10)13-8-11-4-5-12-8/h4-5,7H,6,10H2,1-3H3
InChIKeyBLTMWMODBDVRMG-UHFFFAOYSA-N
MW200.31 g/mol
LogP2.14
Rot. Bonds3

About 3,3-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)butan-1-amine

3,3-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)butan-1-amine (PubChem CID 106921795) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 3,3-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)butan-1-amine
PubChem CID106921795
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name3,3-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)butan-1-amine
SMILESCC(C)(C)C(CN)Sc1ncco1
InChIInChI=1S/C9H16N2OS/c1-9(2,3)7(6-10)13-8-11-4-5-12-8/h4-5,7H,6,10H2,1-3H3
InChIKeyBLTMWMODBDVRMG-UHFFFAOYSA-N
XLogP2.14
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)butan-1-amine (CID 106921795) is 3,3-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)butan-1-amine is CC(C)(C)C(CN)Sc1ncco1.
What is the InChIKey of 3,3-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)butan-1-amine?
The InChIKey is BLTMWMODBDVRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-9(2,3)7(6-10)13-8-11-4-5-12-8/h4-5,7H,6,10H2,1-3H3.
What are the key properties of 3,3-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)butan-1-amine?
3,3-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)butan-1-amine has a molecular weight of 200.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)butan-1-amine is sourced from PubChem (CID 106921795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).