(2S)-3-(ethylamino)-2-(methylamino)propane-1-thiol

C6H16N2S — CID 89203328

IUPAC(2S)-3-(ethylamino)-2-(methylamino)propane-1-thiol
SMILESCCNC[C@@H](CS)NC
InChIInChI=1S/C6H16N2S/c1-3-8-4-6(5-9)7-2/h6-9H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyTWGZBYPDYKYSCE-LURJTMIESA-N
MW148.28 g/mol
LogP0.11
Rot. Bonds5

About (2S)-3-(ethylamino)-2-(methylamino)propane-1-thiol

(2S)-3-(ethylamino)-2-(methylamino)propane-1-thiol (PubChem CID 89203328) has the molecular formula C6H16N2S and a molecular weight of 148.28 g/mol. Its IUPAC name is (2S)-3-(ethylamino)-2-(methylamino)propane-1-thiol.

Molecular Properties

Compound Name(2S)-3-(ethylamino)-2-(methylamino)propane-1-thiol
PubChem CID89203328
Molecular FormulaC6H16N2S
Molecular Weight148.28 g/mol
Exact Mass148.10
IUPAC Name(2S)-3-(ethylamino)-2-(methylamino)propane-1-thiol
SMILESCCNC[C@@H](CS)NC
InChIInChI=1S/C6H16N2S/c1-3-8-4-6(5-9)7-2/h6-9H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyTWGZBYPDYKYSCE-LURJTMIESA-N
XLogP0.11
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.28
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-(ethylamino)-2-[[(2R)-2-(ethylamino)-3-sulfanylpropyl]amino]propane-1-thiol
CID 134313993
3-(ethylamino)-2-[2-[[2-(ethylamino)-3-sulfanylpropyl]amino]propylamino]propane-1-thiol
CID 139308821
(2S)-3-(methylamino)-2-[[(2S)-2-(methylamino)-3-sulfanylpropyl]amino]propane-1-thiol
CID 134314077
(2S)-3-(methylamino)-2-[[(2S)-2-[[(2S)-2-(methylamino)-3-sulfanylpropyl]amino]-3-sulfanylpropyl]amino]propane-1-thiol;hydrochloride
CID 138708241
(2S)-2-(methylamino)-3-[[(2S)-1-(methylamino)propan-2-yl]amino]propane-1-thiol
CID 134314000
3-[1-(ethylamino)propan-2-ylamino]-2-[2-(ethylamino)propylamino]propane-1-thiol
CID 142296449
(2S)-2-[[(2R)-2-(ethylamino)-3-sulfanylpropyl]amino]-3-(methylamino)propane-1-thiol
CID 134313981
2-[[3-[[2-(ethylaminomethyl)-3-sulfanylpropyl]amino]propylamino]methyl]-3-(methylamino)propane-1-thiol
CID 166890518
(2R)-2-methyl-3-(methylamino)-2-[[(2R)-2-(methylamino)-3-sulfanylpropyl]amino]propane-1-thiol
CID 134314118
8-(ethylamino)-N-methyl-7-(methylamino)octanamide
CID 168883489
2-methyl-4,5-bis(methylamino)pentane-1-thiol
CID 123274032
N,2-diethylbutan-1-amine;hydrochloride
CID 171379469

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(ethylamino)-2-(methylamino)propane-1-thiol?
The IUPAC name of (2S)-3-(ethylamino)-2-(methylamino)propane-1-thiol (CID 89203328) is (2S)-3-(ethylamino)-2-(methylamino)propane-1-thiol.
What is the SMILES notation for (2S)-3-(ethylamino)-2-(methylamino)propane-1-thiol?
The canonical SMILES for (2S)-3-(ethylamino)-2-(methylamino)propane-1-thiol is CCNC[C@@H](CS)NC.
What is the InChIKey of (2S)-3-(ethylamino)-2-(methylamino)propane-1-thiol?
The InChIKey is TWGZBYPDYKYSCE-LURJTMIESA-N. The full InChI is InChI=1S/C6H16N2S/c1-3-8-4-6(5-9)7-2/h6-9H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-3-(ethylamino)-2-(methylamino)propane-1-thiol?
(2S)-3-(ethylamino)-2-(methylamino)propane-1-thiol has a molecular weight of 148.28 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(ethylamino)-2-(methylamino)propane-1-thiol is sourced from PubChem (CID 89203328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).