4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide

C13H23N3O2S — CID 106152436

IUPAC4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NC(C)C(CO)SC
InChIInChI=1S/C13H23N3O2S/c1-4-5-16-7-10(14)6-11(16)13(18)15-9(2)12(8-17)19-3/h6-7,9,12,17H,4-5,8,14H2,1-3H3,(H,15,18)
InChIKeyHGGFXXQDXQJCKC-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.32
Rot. Bonds7

About 4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide

4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide (PubChem CID 106152436) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide
PubChem CID106152436
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NC(C)C(CO)SC
InChIInChI=1S/C13H23N3O2S/c1-4-5-16-7-10(14)6-11(16)13(18)15-9(2)12(8-17)19-3/h6-7,9,12,17H,4-5,8,14H2,1-3H3,(H,15,18)
InChIKeyHGGFXXQDXQJCKC-UHFFFAOYSA-N
XLogP1.32
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 106152545
4-amino-N-[1-(4-methylphenyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 61103337
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106180191
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide
CID 61476569
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 65049794
4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide
CID 62403049
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide
CID 103801486
4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
CID 61139515
4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide
CID 93254381
4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide
CID 61116942
4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106152159
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide (CID 106152436) is 4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NC(C)C(CO)SC.
What is the InChIKey of 4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide?
The InChIKey is HGGFXXQDXQJCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-5-16-7-10(14)6-11(16)13(18)15-9(2)12(8-17)19-3/h6-7,9,12,17H,4-5,8,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide?
4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide has a molecular weight of 285.41 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 106152436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).