4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide

C12H21N3OS — CID 113478489

IUPAC4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCC(C)(C)SC
InChIInChI=1S/C12H21N3OS/c1-5-15-7-9(13)6-10(15)11(16)14-8-12(2,3)17-4/h6-7H,5,8,13H2,1-4H3,(H,14,16)
InChIKeyAWNMRPPAYWLOPN-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.96
Rot. Bonds5

About 4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide

4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide (PubChem CID 113478489) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide
PubChem CID113478489
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCC(C)(C)SC
InChIInChI=1S/C12H21N3OS/c1-5-15-7-9(13)6-10(15)11(16)14-8-12(2,3)17-4/h6-7H,5,8,13H2,1-4H3,(H,14,16)
InChIKeyAWNMRPPAYWLOPN-UHFFFAOYSA-N
XLogP1.96
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Netropsin
CID 4461
N-cyclohexyl-1-methylpyrrole-2-carboxamide
CID 24978957
Netropsin dihydrochloride
CID 5351456
4-acetamido-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide
CID 406398
N-(cyclohexylmethyl)-1-methylpyrrole-2-carboxamide
CID 24819634
Netropsin Hydrochloride
CID 149025
Kikumycin B
CID 135618191
Anthelvencin B
CID 14039041
1-Methylpyrrole-2-carboxamide
CID 2379477
4-(2-bromoprop-2-enoylamino)-N-(2-cyanoethyl)-1-methylpyrrole-2-carboxamide
CID 44282634
4-(2-bromoprop-2-enoylamino)-1-methyl-N-phenylpyrrole-2-carboxamide
CID 44282859
N-cycloheptyl-1-methylpyrrole-2-carboxamide
CID 2533538

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide (CID 113478489) is 4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NCC(C)(C)SC.
What is the InChIKey of 4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide?
The InChIKey is AWNMRPPAYWLOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-5-15-7-9(13)6-10(15)11(16)14-8-12(2,3)17-4/h6-7H,5,8,13H2,1-4H3,(H,14,16).
What are the key properties of 4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide?
4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide has a molecular weight of 255.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 113478489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).