2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide

C11H15N3OS — CID 61258756

IUPAC2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)Nc1sccc1C#N
InChIInChI=1S/C11H15N3OS/c1-7(2)5-9(13)10(15)14-11-8(6-12)3-4-16-11/h3-4,7,9H,5,13H2,1-2H3,(H,14,15)
InChIKeyKCMSUVDOSIQOEW-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.93
Rot. Bonds4

About 2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide

2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide (PubChem CID 61258756) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide
PubChem CID61258756
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)Nc1sccc1C#N
InChIInChI=1S/C11H15N3OS/c1-7(2)5-9(13)10(15)14-11-8(6-12)3-4-16-11/h3-4,7,9H,5,13H2,1-2H3,(H,14,15)
InChIKeyKCMSUVDOSIQOEW-UHFFFAOYSA-N
XLogP1.93
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-cyanothiophen-2-yl)pentanamide
CID 61259478
2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide
CID 61258574
2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate
CID 14015035
(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide
CID 104902583
2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide
CID 65228936
(2R)-N-(3-cyanothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 9275051
(2S)-2-amino-N-(5-bromo-2-cyanophenyl)-4-methylpentanamide
CID 107798203
(2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-ylpropanamide
CID 9249660
N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
CID 17374418
N-(3-cyanothiophen-2-yl)-4-ethylbenzamide
CID 8914983
(2S)-N-(3-cyanothiophen-2-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 8972326
[1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 4-(carbamoylamino)benzoate
CID 45353803

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide?
The IUPAC name of 2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide (CID 61258756) is 2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide?
The canonical SMILES for 2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide is CC(C)CC(N)C(=O)Nc1sccc1C#N.
What is the InChIKey of 2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide?
The InChIKey is KCMSUVDOSIQOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7(2)5-9(13)10(15)14-11-8(6-12)3-4-16-11/h3-4,7,9H,5,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide?
2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide has a molecular weight of 237.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide is sourced from PubChem (CID 61258756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).