(2R)-2-cyano-N-ethyl-3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanamide;molecular hydrogen

C10H19N3O2S — CID 143242206

IUPAC(2R)-2-cyano-N-ethyl-3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanamide;molecular hydrogen
SMILESCCNC(=O)CSC[C@H](C#N)C(=O)NCC.[H][H]
InChIInChI=1S/C10H17N3O2S.H2/c1-3-12-9(14)7-16-6-8(5-11)10(15)13-4-2;/h8H,3-4,6-7H2,1-2H3,(H,12,14)(H,13,15);1H/t8-;/m0./s1
InChIKeyBAJAZNCSXJELLS-QRPNPIFTSA-N
MW245.35 g/mol
LogP0.38
Rot. Bonds7

About (2R)-2-cyano-N-ethyl-3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanamide;molecular hydrogen

(2R)-2-cyano-N-ethyl-3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanamide;molecular hydrogen (PubChem CID 143242206) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is (2R)-2-cyano-N-ethyl-3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanamide;molecular hydrogen.

Molecular Properties

Compound Name(2R)-2-cyano-N-ethyl-3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanamide;molecular hydrogen
PubChem CID143242206
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name(2R)-2-cyano-N-ethyl-3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanamide;molecular hydrogen
SMILESCCNC(=O)CSC[C@H](C#N)C(=O)NCC.[H][H]
InChIInChI=1S/C10H17N3O2S.H2/c1-3-12-9(14)7-16-6-8(5-11)10(15)13-4-2;/h8H,3-4,6-7H2,1-2H3,(H,12,14)(H,13,15);1H/t8-;/m0./s1
InChIKeyBAJAZNCSXJELLS-QRPNPIFTSA-N
XLogP0.38
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3'-thiobis[N-(sec-butyl)propanamide]
CID 2931410
3,3'-thiobis[N-(3-methylbutyl)propanamide]
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CID 47023340
2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide
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N-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide
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N,N'-Dibutyl 4-thiaheptanedioic acid amide
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S-[2-(acetylsulfanylmethyl)-3-(ethylamino)-3-oxopropyl] ethanethioate
CID 134858126
3-[3-oxo-3-(propan-2-ylamino)propyl]sulfanyl-N-propan-2-ylpropanamide
CID 300696
N-ethyl-3-[3-(ethylamino)-3-oxopropyl]sulfanylpropanamide
CID 5058591
N-(cyanomethyl)-3-(2-methylpropylsulfonyl)-2-(2-methylpropylsulfonylmethyl)propanamide
CID 9947341
3-(1-acetamidoethylsulfanyl)-N-(2-aminoethyl)propanamide
CID 19593905
N-[2-(3-ethylsulfanylpropanoylamino)ethyl]-3-methylsulfanylpropanamide
CID 20768538

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-ethyl-3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanamide;molecular hydrogen?
The IUPAC name of (2R)-2-cyano-N-ethyl-3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanamide;molecular hydrogen (CID 143242206) is (2R)-2-cyano-N-ethyl-3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanamide;molecular hydrogen.
What is the SMILES notation for (2R)-2-cyano-N-ethyl-3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanamide;molecular hydrogen?
The canonical SMILES for (2R)-2-cyano-N-ethyl-3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanamide;molecular hydrogen is CCNC(=O)CSC[C@H](C#N)C(=O)NCC.[H][H].
What is the InChIKey of (2R)-2-cyano-N-ethyl-3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanamide;molecular hydrogen?
The InChIKey is BAJAZNCSXJELLS-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H17N3O2S.H2/c1-3-12-9(14)7-16-6-8(5-11)10(15)13-4-2;/h8H,3-4,6-7H2,1-2H3,(H,12,14)(H,13,15);1H/t8-;/m0./s1.
What are the key properties of (2R)-2-cyano-N-ethyl-3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanamide;molecular hydrogen?
(2R)-2-cyano-N-ethyl-3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanamide;molecular hydrogen has a molecular weight of 245.35 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-ethyl-3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanamide;molecular hydrogen is sourced from PubChem (CID 143242206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).