(1S)-1-(2-methylpropylamino)ethanethiol

C6H15NS — CID 168900997

IUPAC(1S)-1-(2-methylpropylamino)ethanethiol
SMILESCC(C)CN[C@H](C)S
InChIInChI=1S/C6H15NS/c1-5(2)4-7-6(3)8/h5-8H,4H2,1-3H3/t6-/m0/s1
InChIKeyISFOIUWLGZKWOF-LURJTMIESA-N
MW133.26 g/mol
LogP1.51
Rot. Bonds3

About (1S)-1-(2-methylpropylamino)ethanethiol

(1S)-1-(2-methylpropylamino)ethanethiol (PubChem CID 168900997) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is (1S)-1-(2-methylpropylamino)ethanethiol.

Molecular Properties

Compound Name(1S)-1-(2-methylpropylamino)ethanethiol
PubChem CID168900997
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Name(1S)-1-(2-methylpropylamino)ethanethiol
SMILESCC(C)CN[C@H](C)S
InChIInChI=1S/C6H15NS/c1-5(2)4-7-6(3)8/h5-8H,4H2,1-3H3/t6-/m0/s1
InChIKeyISFOIUWLGZKWOF-LURJTMIESA-N
XLogP1.51
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methylpropylamino)ethanethiol?
The IUPAC name of (1S)-1-(2-methylpropylamino)ethanethiol (CID 168900997) is (1S)-1-(2-methylpropylamino)ethanethiol.
What is the SMILES notation for (1S)-1-(2-methylpropylamino)ethanethiol?
The canonical SMILES for (1S)-1-(2-methylpropylamino)ethanethiol is CC(C)CN[C@H](C)S.
What is the InChIKey of (1S)-1-(2-methylpropylamino)ethanethiol?
The InChIKey is ISFOIUWLGZKWOF-LURJTMIESA-N. The full InChI is InChI=1S/C6H15NS/c1-5(2)4-7-6(3)8/h5-8H,4H2,1-3H3/t6-/m0/s1.
What are the key properties of (1S)-1-(2-methylpropylamino)ethanethiol?
(1S)-1-(2-methylpropylamino)ethanethiol has a molecular weight of 133.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methylpropylamino)ethanethiol is sourced from PubChem (CID 168900997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).