2-methyl-1-(2-sulfanylethylamino)propan-2-ol

C6H15NOS — CID 55287531

IUPAC2-methyl-1-(2-sulfanylethylamino)propan-2-ol
SMILESCC(C)(O)CNCCS
InChIInChI=1S/C6H15NOS/c1-6(2,8)5-7-3-4-9/h7-9H,3-5H2,1-2H3
InChIKeyWEWNBLROLCVLNU-UHFFFAOYSA-N
MW149.26 g/mol
LogP0.28
Rot. Bonds4

About 2-methyl-1-(2-sulfanylethylamino)propan-2-ol

2-methyl-1-(2-sulfanylethylamino)propan-2-ol (PubChem CID 55287531) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is 2-methyl-1-(2-sulfanylethylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-sulfanylethylamino)propan-2-ol
PubChem CID55287531
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name2-methyl-1-(2-sulfanylethylamino)propan-2-ol
SMILESCC(C)(O)CNCCS
InChIInChI=1S/C6H15NOS/c1-6(2,8)5-7-3-4-9/h7-9H,3-5H2,1-2H3
InChIKeyWEWNBLROLCVLNU-UHFFFAOYSA-N
XLogP0.28
TPSA32.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-sulfanylethylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-(2-sulfanylethylamino)propan-2-ol (CID 55287531) is 2-methyl-1-(2-sulfanylethylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(2-sulfanylethylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-(2-sulfanylethylamino)propan-2-ol is CC(C)(O)CNCCS.
What is the InChIKey of 2-methyl-1-(2-sulfanylethylamino)propan-2-ol?
The InChIKey is WEWNBLROLCVLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-6(2,8)5-7-3-4-9/h7-9H,3-5H2,1-2H3.
What are the key properties of 2-methyl-1-(2-sulfanylethylamino)propan-2-ol?
2-methyl-1-(2-sulfanylethylamino)propan-2-ol has a molecular weight of 149.26 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-sulfanylethylamino)propan-2-ol is sourced from PubChem (CID 55287531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).