(2R)-N-ethyl-2-(ethylamino)-3-sulfanylpropanamide;hydrochloride

C7H17ClN2OS — CID 88724401

IUPAC(2R)-N-ethyl-2-(ethylamino)-3-sulfanylpropanamide;hydrochloride
SMILESCCNC(=O)[C@H](CS)NCC.Cl
InChIInChI=1S/C7H16N2OS.ClH/c1-3-8-6(5-11)7(10)9-4-2;/h6,8,11H,3-5H2,1-2H3,(H,9,10);1H/t6-;/m0./s1
InChIKeyLKANCBBTFVQMFC-RGMNGODLSA-N
MW212.75 g/mol
LogP0.45
Rot. Bonds5

About (2R)-N-ethyl-2-(ethylamino)-3-sulfanylpropanamide;hydrochloride

(2R)-N-ethyl-2-(ethylamino)-3-sulfanylpropanamide;hydrochloride (PubChem CID 88724401) has the molecular formula C7H17ClN2OS and a molecular weight of 212.75 g/mol. Its IUPAC name is (2R)-N-ethyl-2-(ethylamino)-3-sulfanylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-ethyl-2-(ethylamino)-3-sulfanylpropanamide;hydrochloride
PubChem CID88724401
Molecular FormulaC7H17ClN2OS
Molecular Weight212.75 g/mol
Exact Mass212.08
IUPAC Name(2R)-N-ethyl-2-(ethylamino)-3-sulfanylpropanamide;hydrochloride
SMILESCCNC(=O)[C@H](CS)NCC.Cl
InChIInChI=1S/C7H16N2OS.ClH/c1-3-8-6(5-11)7(10)9-4-2;/h6,8,11H,3-5H2,1-2H3,(H,9,10);1H/t6-;/m0./s1
InChIKeyLKANCBBTFVQMFC-RGMNGODLSA-N
XLogP0.45
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.75
LogP ≤ 50.45
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)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride
CID 139691176
(2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid
CID 23618356
ethane;N-ethyl-2-methylbutanamide
CID 145471862
(2S)-2-(ethylamino)-3-hydroxypropanoic acid
CID 12003152
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
2-[[1-oxo-3-sulfanyl-1-(4-sulfanylbutylamino)propan-2-yl]amino]acetic acid
CID 23104760
N-ethylacetamide;hydrochloride
CID 87177071
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride
CID 158763215
N,N'-bis[1-(2-hydroxypropylamino)-1-oxo-3-sulfanylpropan-2-yl]oxamide
CID 87760899
2-(ethylamino)-N-propylbutanediamide
CID 59755621
2-amino-N,N'-diethylpropanediamide
CID 88901749
(2S)-2-(2-methylpropylamino)-3-sulfanylpropanoic acid;hydrochloride
CID 87312397

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-(ethylamino)-3-sulfanylpropanamide;hydrochloride?
The IUPAC name of (2R)-N-ethyl-2-(ethylamino)-3-sulfanylpropanamide;hydrochloride (CID 88724401) is (2R)-N-ethyl-2-(ethylamino)-3-sulfanylpropanamide;hydrochloride.
What is the SMILES notation for (2R)-N-ethyl-2-(ethylamino)-3-sulfanylpropanamide;hydrochloride?
The canonical SMILES for (2R)-N-ethyl-2-(ethylamino)-3-sulfanylpropanamide;hydrochloride is CCNC(=O)[C@H](CS)NCC.Cl.
What is the InChIKey of (2R)-N-ethyl-2-(ethylamino)-3-sulfanylpropanamide;hydrochloride?
The InChIKey is LKANCBBTFVQMFC-RGMNGODLSA-N. The full InChI is InChI=1S/C7H16N2OS.ClH/c1-3-8-6(5-11)7(10)9-4-2;/h6,8,11H,3-5H2,1-2H3,(H,9,10);1H/t6-;/m0./s1.
What are the key properties of (2R)-N-ethyl-2-(ethylamino)-3-sulfanylpropanamide;hydrochloride?
(2R)-N-ethyl-2-(ethylamino)-3-sulfanylpropanamide;hydrochloride has a molecular weight of 212.75 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-(ethylamino)-3-sulfanylpropanamide;hydrochloride is sourced from PubChem (CID 88724401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).