2-(1-tert-butylsulfanylpropan-2-ylamino)-2-methylpentan-1-ol

C13H29NOS — CID 115920407

IUPAC2-(1-tert-butylsulfanylpropan-2-ylamino)-2-methylpentan-1-ol
SMILESCCCC(C)(CO)NC(C)CSC(C)(C)C
InChIInChI=1S/C13H29NOS/c1-7-8-13(6,10-15)14-11(2)9-16-12(3,4)5/h11,14-15H,7-10H2,1-6H3
InChIKeyHGVWGJOWYBXBJJ-UHFFFAOYSA-N
MW247.45 g/mol
LogP3.05
Rot. Bonds7

About 2-(1-tert-butylsulfanylpropan-2-ylamino)-2-methylpentan-1-ol

2-(1-tert-butylsulfanylpropan-2-ylamino)-2-methylpentan-1-ol (PubChem CID 115920407) has the molecular formula C13H29NOS and a molecular weight of 247.45 g/mol. Its IUPAC name is 2-(1-tert-butylsulfanylpropan-2-ylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-(1-tert-butylsulfanylpropan-2-ylamino)-2-methylpentan-1-ol
PubChem CID115920407
Molecular FormulaC13H29NOS
Molecular Weight247.45 g/mol
Exact Mass247.20
IUPAC Name2-(1-tert-butylsulfanylpropan-2-ylamino)-2-methylpentan-1-ol
SMILESCCCC(C)(CO)NC(C)CSC(C)(C)C
InChIInChI=1S/C13H29NOS/c1-7-8-13(6,10-15)14-11(2)9-16-12(3,4)5/h11,14-15H,7-10H2,1-6H3
InChIKeyHGVWGJOWYBXBJJ-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylsulfanylpropan-2-ylamino)-2-methylpentan-1-ol?
The IUPAC name of 2-(1-tert-butylsulfanylpropan-2-ylamino)-2-methylpentan-1-ol (CID 115920407) is 2-(1-tert-butylsulfanylpropan-2-ylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 2-(1-tert-butylsulfanylpropan-2-ylamino)-2-methylpentan-1-ol?
The canonical SMILES for 2-(1-tert-butylsulfanylpropan-2-ylamino)-2-methylpentan-1-ol is CCCC(C)(CO)NC(C)CSC(C)(C)C.
What is the InChIKey of 2-(1-tert-butylsulfanylpropan-2-ylamino)-2-methylpentan-1-ol?
The InChIKey is HGVWGJOWYBXBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NOS/c1-7-8-13(6,10-15)14-11(2)9-16-12(3,4)5/h11,14-15H,7-10H2,1-6H3.
What are the key properties of 2-(1-tert-butylsulfanylpropan-2-ylamino)-2-methylpentan-1-ol?
2-(1-tert-butylsulfanylpropan-2-ylamino)-2-methylpentan-1-ol has a molecular weight of 247.45 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylsulfanylpropan-2-ylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 115920407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).