1-[di(propan-2-yl)amino]-3-thiophen-2-ylsulfanylpropan-2-ol

C13H23NOS2 — CID 22975428

IUPAC1-[di(propan-2-yl)amino]-3-thiophen-2-ylsulfanylpropan-2-ol
SMILESCC(C)N(CC(O)CSc1cccs1)C(C)C
InChIInChI=1S/C13H23NOS2/c1-10(2)14(11(3)4)8-12(15)9-17-13-6-5-7-16-13/h5-7,10-12,15H,8-9H2,1-4H3
InChIKeyJKCXKWBPGHVTPG-UHFFFAOYSA-N
MW273.47 g/mol
LogP3.32
Rot. Bonds7

About 1-[di(propan-2-yl)amino]-3-thiophen-2-ylsulfanylpropan-2-ol

1-[di(propan-2-yl)amino]-3-thiophen-2-ylsulfanylpropan-2-ol (PubChem CID 22975428) has the molecular formula C13H23NOS2 and a molecular weight of 273.47 g/mol. Its IUPAC name is 1-[di(propan-2-yl)amino]-3-thiophen-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[di(propan-2-yl)amino]-3-thiophen-2-ylsulfanylpropan-2-ol
PubChem CID22975428
Molecular FormulaC13H23NOS2
Molecular Weight273.47 g/mol
Exact Mass273.12
IUPAC Name1-[di(propan-2-yl)amino]-3-thiophen-2-ylsulfanylpropan-2-ol
SMILESCC(C)N(CC(O)CSc1cccs1)C(C)C
InChIInChI=1S/C13H23NOS2/c1-10(2)14(11(3)4)8-12(15)9-17-13-6-5-7-16-13/h5-7,10-12,15H,8-9H2,1-4H3
InChIKeyJKCXKWBPGHVTPG-UHFFFAOYSA-N
XLogP3.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[di(propan-2-yl)amino]-3-thiophen-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-[di(propan-2-yl)amino]-3-thiophen-2-ylsulfanylpropan-2-ol (CID 22975428) is 1-[di(propan-2-yl)amino]-3-thiophen-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[di(propan-2-yl)amino]-3-thiophen-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-[di(propan-2-yl)amino]-3-thiophen-2-ylsulfanylpropan-2-ol is CC(C)N(CC(O)CSc1cccs1)C(C)C.
What is the InChIKey of 1-[di(propan-2-yl)amino]-3-thiophen-2-ylsulfanylpropan-2-ol?
The InChIKey is JKCXKWBPGHVTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS2/c1-10(2)14(11(3)4)8-12(15)9-17-13-6-5-7-16-13/h5-7,10-12,15H,8-9H2,1-4H3.
What are the key properties of 1-[di(propan-2-yl)amino]-3-thiophen-2-ylsulfanylpropan-2-ol?
1-[di(propan-2-yl)amino]-3-thiophen-2-ylsulfanylpropan-2-ol has a molecular weight of 273.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(propan-2-yl)amino]-3-thiophen-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 22975428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).