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

C10H17N3OS — CID 64805701

IUPAC2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol
SMILESCC(C)NC(CO)CSc1cnccn1
InChIInChI=1S/C10H17N3OS/c1-8(2)13-9(6-14)7-15-10-5-11-3-4-12-10/h3-5,8-9,13-14H,6-7H2,1-2H3
InChIKeySJTWXDIZJKZVRQ-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.93
Rot. Bonds6

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

2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol (PubChem CID 64805701) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol
PubChem CID64805701
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol
SMILESCC(C)NC(CO)CSc1cnccn1
InChIInChI=1S/C10H17N3OS/c1-8(2)13-9(6-14)7-15-10-5-11-3-4-12-10/h3-5,8-9,13-14H,6-7H2,1-2H3
InChIKeySJTWXDIZJKZVRQ-UHFFFAOYSA-N
XLogP0.93
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol?
The IUPAC name of 2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol (CID 64805701) is 2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol.
What is the SMILES notation for 2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol?
The canonical SMILES for 2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol is CC(C)NC(CO)CSc1cnccn1.
What is the InChIKey of 2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol?
The InChIKey is SJTWXDIZJKZVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8(2)13-9(6-14)7-15-10-5-11-3-4-12-10/h3-5,8-9,13-14H,6-7H2,1-2H3.
What are the key properties of 2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol?
2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol is sourced from PubChem (CID 64805701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).