3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide

C12H17N3OS2 — CID 66220996

IUPAC3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
SMILESCC(C)(N)CSCCC(=O)Nc1sccc1C#N
InChIInChI=1S/C12H17N3OS2/c1-12(2,14)8-17-5-4-10(16)15-11-9(7-13)3-6-18-11/h3,6H,4-5,8,14H2,1-2H3,(H,15,16)
InChIKeyBEEMDVALUWERTF-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.42
Rot. Bonds6

About 3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide

3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide (PubChem CID 66220996) has the molecular formula C12H17N3OS2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
PubChem CID66220996
Molecular FormulaC12H17N3OS2
Molecular Weight283.42 g/mol
Exact Mass283.08
IUPAC Name3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
SMILESCC(C)(N)CSCCC(=O)Nc1sccc1C#N
InChIInChI=1S/C12H17N3OS2/c1-12(2,14)8-17-5-4-10(16)15-11-9(7-13)3-6-18-11/h3,6H,4-5,8,14H2,1-2H3,(H,15,16)
InChIKeyBEEMDVALUWERTF-UHFFFAOYSA-N
XLogP2.42
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-tert-butylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 9042639
N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
CID 17374418
N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605028
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263781
3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 8544238
N-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8759941
N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 8907694
3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 115279669
2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide
CID 114327374
N-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide
CID 51965760
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-cyanothiophen-2-yl)acetamide
CID 79652535
3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 60987126

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide?
The IUPAC name of 3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide (CID 66220996) is 3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide.
What is the SMILES notation for 3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide?
The canonical SMILES for 3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide is CC(C)(N)CSCCC(=O)Nc1sccc1C#N.
What is the InChIKey of 3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide?
The InChIKey is BEEMDVALUWERTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS2/c1-12(2,14)8-17-5-4-10(16)15-11-9(7-13)3-6-18-11/h3,6H,4-5,8,14H2,1-2H3,(H,15,16).
What are the key properties of 3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide?
3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide has a molecular weight of 283.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide is sourced from PubChem (CID 66220996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).