(2R)-3-(ethylamino)-2-[[(2R)-2-(ethylamino)-3-sulfanylpropyl]amino]propane-1-thiol

C10H25N3S2 — CID 134313993

IUPAC(2R)-3-(ethylamino)-2-[[(2R)-2-(ethylamino)-3-sulfanylpropyl]amino]propane-1-thiol
SMILESCCNC[C@H](CS)NC[C@H](CS)NCC
InChIInChI=1S/C10H25N3S2/c1-3-11-5-9(7-14)13-6-10(8-15)12-4-2/h9-15H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyJDDAULBUKJMOMN-NXEZZACHSA-N
MW251.46 g/mol
LogP0.39
Rot. Bonds10

About (2R)-3-(ethylamino)-2-[[(2R)-2-(ethylamino)-3-sulfanylpropyl]amino]propane-1-thiol

(2R)-3-(ethylamino)-2-[[(2R)-2-(ethylamino)-3-sulfanylpropyl]amino]propane-1-thiol (PubChem CID 134313993) has the molecular formula C10H25N3S2 and a molecular weight of 251.46 g/mol. Its IUPAC name is (2R)-3-(ethylamino)-2-[[(2R)-2-(ethylamino)-3-sulfanylpropyl]amino]propane-1-thiol.

Molecular Properties

Compound Name(2R)-3-(ethylamino)-2-[[(2R)-2-(ethylamino)-3-sulfanylpropyl]amino]propane-1-thiol
PubChem CID134313993
Molecular FormulaC10H25N3S2
Molecular Weight251.46 g/mol
Exact Mass251.15
IUPAC Name(2R)-3-(ethylamino)-2-[[(2R)-2-(ethylamino)-3-sulfanylpropyl]amino]propane-1-thiol
SMILESCCNC[C@H](CS)NC[C@H](CS)NCC
InChIInChI=1S/C10H25N3S2/c1-3-11-5-9(7-14)13-6-10(8-15)12-4-2/h9-15H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyJDDAULBUKJMOMN-NXEZZACHSA-N
XLogP0.39
TPSA36.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 50.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-3-(ethylamino)-2-[[(2R)-2-(ethylamino)-3-sulfanylpropyl]amino]propane-1-thiol with MolForge

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Related Compounds

3-(ethylamino)-2-[2-[[2-(ethylamino)-3-sulfanylpropyl]amino]propylamino]propane-1-thiol
CID 139308821
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
(2S)-3-(ethylamino)-2-(methylamino)propane-1-thiol
CID 89203328
(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
1,2-bis(ethylamino)ethanol
CID 130275854
(2R)-2-(ethylamino)-3-sulfanylpropanal
CID 91407300
N,2-diethylbutan-1-amine;hydrochloride
CID 171379469
(2S)-1-N-(3-aminopropyl)-2-N-ethylpentane-1,2,5-triamine
CID 10805361
(2S)-3-amino-2-[[(2S)-2-amino-3-sulfanylpropyl]amino]propane-1-thiol
CID 134314019
N,N'-diethyl-1-nitrosoethane-1,2-diamine
CID 21404115

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(ethylamino)-2-[[(2R)-2-(ethylamino)-3-sulfanylpropyl]amino]propane-1-thiol?
The IUPAC name of (2R)-3-(ethylamino)-2-[[(2R)-2-(ethylamino)-3-sulfanylpropyl]amino]propane-1-thiol (CID 134313993) is (2R)-3-(ethylamino)-2-[[(2R)-2-(ethylamino)-3-sulfanylpropyl]amino]propane-1-thiol.
What is the SMILES notation for (2R)-3-(ethylamino)-2-[[(2R)-2-(ethylamino)-3-sulfanylpropyl]amino]propane-1-thiol?
The canonical SMILES for (2R)-3-(ethylamino)-2-[[(2R)-2-(ethylamino)-3-sulfanylpropyl]amino]propane-1-thiol is CCNC[C@H](CS)NC[C@H](CS)NCC.
What is the InChIKey of (2R)-3-(ethylamino)-2-[[(2R)-2-(ethylamino)-3-sulfanylpropyl]amino]propane-1-thiol?
The InChIKey is JDDAULBUKJMOMN-NXEZZACHSA-N. The full InChI is InChI=1S/C10H25N3S2/c1-3-11-5-9(7-14)13-6-10(8-15)12-4-2/h9-15H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (2R)-3-(ethylamino)-2-[[(2R)-2-(ethylamino)-3-sulfanylpropyl]amino]propane-1-thiol?
(2R)-3-(ethylamino)-2-[[(2R)-2-(ethylamino)-3-sulfanylpropyl]amino]propane-1-thiol has a molecular weight of 251.46 g/mol, XLogP of 0.39, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(ethylamino)-2-[[(2R)-2-(ethylamino)-3-sulfanylpropyl]amino]propane-1-thiol is sourced from PubChem (CID 134313993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).