2-cyclopropyl-2-(cyclopropylamino)-3-thiophen-2-ylsulfanylpropan-1-ol

C13H19NOS2 — CID 64821955

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-thiophen-2-ylsulfanylpropan-1-ol
SMILESOCC(CSc1cccs1)(NC1CC1)C1CC1
InChIInChI=1S/C13H19NOS2/c15-8-13(10-3-4-10,14-11-5-6-11)9-17-12-2-1-7-16-12/h1-2,7,10-11,14-15H,3-6,8-9H2
InChIKeyGZJLRLDZKFATOE-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.73
Rot. Bonds7

About 2-cyclopropyl-2-(cyclopropylamino)-3-thiophen-2-ylsulfanylpropan-1-ol

2-cyclopropyl-2-(cyclopropylamino)-3-thiophen-2-ylsulfanylpropan-1-ol (PubChem CID 64821955) has the molecular formula C13H19NOS2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-thiophen-2-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-thiophen-2-ylsulfanylpropan-1-ol
PubChem CID64821955
Molecular FormulaC13H19NOS2
Molecular Weight269.43 g/mol
Exact Mass269.09
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-thiophen-2-ylsulfanylpropan-1-ol
SMILESOCC(CSc1cccs1)(NC1CC1)C1CC1
InChIInChI=1S/C13H19NOS2/c15-8-13(10-3-4-10,14-11-5-6-11)9-17-12-2-1-7-16-12/h1-2,7,10-11,14-15H,3-6,8-9H2
InChIKeyGZJLRLDZKFATOE-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-thiophen-2-ylsulfanylpropan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-thiophen-2-ylsulfanylpropan-1-ol (CID 64821955) is 2-cyclopropyl-2-(cyclopropylamino)-3-thiophen-2-ylsulfanylpropan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-thiophen-2-ylsulfanylpropan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-thiophen-2-ylsulfanylpropan-1-ol is OCC(CSc1cccs1)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-thiophen-2-ylsulfanylpropan-1-ol?
The InChIKey is GZJLRLDZKFATOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS2/c15-8-13(10-3-4-10,14-11-5-6-11)9-17-12-2-1-7-16-12/h1-2,7,10-11,14-15H,3-6,8-9H2.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-thiophen-2-ylsulfanylpropan-1-ol?
2-cyclopropyl-2-(cyclopropylamino)-3-thiophen-2-ylsulfanylpropan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-thiophen-2-ylsulfanylpropan-1-ol is sourced from PubChem (CID 64821955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).