2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide

C11H22N2O3S — CID 79671804

IUPAC2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide
SMILESCCNC(CSCC(O)CO)(C(N)=O)C1CC1
InChIInChI=1S/C11H22N2O3S/c1-2-13-11(10(12)16,8-3-4-8)7-17-6-9(15)5-14/h8-9,13-15H,2-7H2,1H3,(H2,12,16)
InChIKeyGWMFGLCSBVZUEH-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.68
Rot. Bonds9

About 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide

2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide (PubChem CID 79671804) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide
PubChem CID79671804
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide
SMILESCCNC(CSCC(O)CO)(C(N)=O)C1CC1
InChIInChI=1S/C11H22N2O3S/c1-2-13-11(10(12)16,8-3-4-8)7-17-6-9(15)5-14/h8-9,13-15H,2-7H2,1H3,(H2,12,16)
InChIKeyGWMFGLCSBVZUEH-UHFFFAOYSA-N
XLogP-0.68
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Ethylamino)-5-(2-hydroxyethylsulfanyl)-2-methylpentanamide
CID 61933007
5-(2-Hydroxyethylsulfanyl)-2-methyl-2-(propylamino)pentanamide
CID 61933212
5-(2-Hydroxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 61933420
2-(Cyclopropylamino)-5-(2-hydroxyethylsulfanyl)-2-methylpentanamide
CID 61934665
2-(Ethylamino)-6-(2-hydroxyethylsulfanyl)-2-methylhexanamide
CID 61934670
6-(2-Hydroxyethylsulfanyl)-2-methyl-2-(propylamino)hexanamide
CID 61935280
2-(Cyclopropylamino)-6-(2-hydroxyethylsulfanyl)-2-methylhexanamide
CID 61935685
2-Cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propylamino)propanamide
CID 63915493
2-Cyclopropyl-2-(ethylamino)-3-(2-methoxyethylsulfanyl)propanamide
CID 63915494
2-Cyclopropyl-3-(2-hydroxyethylsulfanyl)-2-(propylamino)propanamide
CID 63915500
2-Cyclopropyl-2-(ethylamino)-3-(2-hydroxyethylsulfanyl)propanamide
CID 63915501
2-Cyclopropyl-2-(cyclopropylamino)-3-(2-hydroxyethylsulfanyl)propanamide
CID 63915502

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide (CID 79671804) is 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide is CCNC(CSCC(O)CO)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide?
The InChIKey is GWMFGLCSBVZUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-2-13-11(10(12)16,8-3-4-8)7-17-6-9(15)5-14/h8-9,13-15H,2-7H2,1H3,(H2,12,16).
What are the key properties of 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide?
2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide has a molecular weight of 262.37 g/mol, XLogP of -0.68, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide is sourced from PubChem (CID 79671804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).