(2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol

C11H26N2OS — CID 167242879

IUPAC(2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol
SMILESCC(C)CNCCOCCNC[C@H](C)S
InChIInChI=1S/C11H26N2OS/c1-10(2)8-12-4-6-14-7-5-13-9-11(3)15/h10-13,15H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyPOEHWGXIYSPIAN-NSHDSACASA-N
MW234.41 g/mol
LogP1.16
Rot. Bonds10

About (2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol

(2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol (PubChem CID 167242879) has the molecular formula C11H26N2OS and a molecular weight of 234.41 g/mol. Its IUPAC name is (2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol.

Molecular Properties

Compound Name(2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol
PubChem CID167242879
Molecular FormulaC11H26N2OS
Molecular Weight234.41 g/mol
Exact Mass234.18
IUPAC Name(2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol
SMILESCC(C)CNCCOCCNC[C@H](C)S
InChIInChI=1S/C11H26N2OS/c1-10(2)8-12-4-6-14-7-5-13-9-11(3)15/h10-13,15H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyPOEHWGXIYSPIAN-NSHDSACASA-N
XLogP1.16
TPSA33.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
CID 106449858
N-(2-ethoxyethyl)-2-methylpropan-1-amine
CID 43387935
2-methyl-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propan-1-amine
CID 146640685
N-(2-heptoxyethyl)-2-methylpropan-1-amine
CID 62457906
N-[2-[2-(3-aminopropoxy)ethoxy]ethyl]-2-methylpropan-1-amine
CID 171539596
2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen
CID 157169252
1-[3-[3-(propan-2-ylamino)propoxy]propylamino]propane-2-thiol
CID 167242562
2-methyl-N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]propan-1-amine
CID 65303494
N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine
CID 148587851
(2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine
CID 11806174
N-[2-(2-cyclobutylethoxy)ethyl]-2-methylpropan-1-amine
CID 106205978
N-methyl-1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]azetidin-3-amine
CID 142623048

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol?
The IUPAC name of (2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol (CID 167242879) is (2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol.
What is the SMILES notation for (2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol?
The canonical SMILES for (2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol is CC(C)CNCCOCCNC[C@H](C)S.
What is the InChIKey of (2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol?
The InChIKey is POEHWGXIYSPIAN-NSHDSACASA-N. The full InChI is InChI=1S/C11H26N2OS/c1-10(2)8-12-4-6-14-7-5-13-9-11(3)15/h10-13,15H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol?
(2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol has a molecular weight of 234.41 g/mol, XLogP of 1.16, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol is sourced from PubChem (CID 167242879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).