2-(propan-2-ylamino)-3-thiophen-2-ylsulfanylpropan-1-ol

C10H17NOS2 — CID 64821282

IUPAC2-(propan-2-ylamino)-3-thiophen-2-ylsulfanylpropan-1-ol
SMILESCC(C)NC(CO)CSc1cccs1
InChIInChI=1S/C10H17NOS2/c1-8(2)11-9(6-12)7-14-10-4-3-5-13-10/h3-5,8-9,11-12H,6-7H2,1-2H3
InChIKeyKVVBHEMWWPJOSV-UHFFFAOYSA-N
MW231.39 g/mol
LogP2.20
Rot. Bonds6

About 2-(propan-2-ylamino)-3-thiophen-2-ylsulfanylpropan-1-ol

2-(propan-2-ylamino)-3-thiophen-2-ylsulfanylpropan-1-ol (PubChem CID 64821282) has the molecular formula C10H17NOS2 and a molecular weight of 231.39 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-3-thiophen-2-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(propan-2-ylamino)-3-thiophen-2-ylsulfanylpropan-1-ol
PubChem CID64821282
Molecular FormulaC10H17NOS2
Molecular Weight231.39 g/mol
Exact Mass231.08
IUPAC Name2-(propan-2-ylamino)-3-thiophen-2-ylsulfanylpropan-1-ol
SMILESCC(C)NC(CO)CSc1cccs1
InChIInChI=1S/C10H17NOS2/c1-8(2)11-9(6-12)7-14-10-4-3-5-13-10/h3-5,8-9,11-12H,6-7H2,1-2H3
InChIKeyKVVBHEMWWPJOSV-UHFFFAOYSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-3-thiophen-2-ylsulfanylpropan-1-ol?
The IUPAC name of 2-(propan-2-ylamino)-3-thiophen-2-ylsulfanylpropan-1-ol (CID 64821282) is 2-(propan-2-ylamino)-3-thiophen-2-ylsulfanylpropan-1-ol.
What is the SMILES notation for 2-(propan-2-ylamino)-3-thiophen-2-ylsulfanylpropan-1-ol?
The canonical SMILES for 2-(propan-2-ylamino)-3-thiophen-2-ylsulfanylpropan-1-ol is CC(C)NC(CO)CSc1cccs1.
What is the InChIKey of 2-(propan-2-ylamino)-3-thiophen-2-ylsulfanylpropan-1-ol?
The InChIKey is KVVBHEMWWPJOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS2/c1-8(2)11-9(6-12)7-14-10-4-3-5-13-10/h3-5,8-9,11-12H,6-7H2,1-2H3.
What are the key properties of 2-(propan-2-ylamino)-3-thiophen-2-ylsulfanylpropan-1-ol?
2-(propan-2-ylamino)-3-thiophen-2-ylsulfanylpropan-1-ol has a molecular weight of 231.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-3-thiophen-2-ylsulfanylpropan-1-ol is sourced from PubChem (CID 64821282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).