2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide

C11H15N3OS — CID 65228936

IUPAC2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide
SMILESCCCC(CN)C(=O)Nc1sccc1C#N
InChIInChI=1S/C11H15N3OS/c1-2-3-8(6-12)10(15)14-11-9(7-13)4-5-16-11/h4-5,8H,2-3,6,12H2,1H3,(H,14,15)
InChIKeyIVFBTONNWDSKJR-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.93
Rot. Bonds5

About 2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide

2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide (PubChem CID 65228936) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide
PubChem CID65228936
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide
SMILESCCCC(CN)C(=O)Nc1sccc1C#N
InChIInChI=1S/C11H15N3OS/c1-2-3-8(6-12)10(15)14-11-9(7-13)4-5-16-11/h4-5,8H,2-3,6,12H2,1H3,(H,14,15)
InChIKeyIVFBTONNWDSKJR-UHFFFAOYSA-N
XLogP1.93
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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)-4-methylpentanamide
CID 61258756
methyl 3-[2-(aminomethyl)pentanoylamino]thiophene-2-carboxylate
CID 65228982
2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate
CID 14015035
N-(3-cyanothiophen-2-yl)-4-ethylbenzamide
CID 8914983
1-butyl-3-(3-cyanothiophen-2-yl)urea
CID 2078770
2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide
CID 61258574
2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide
CID 114327374
N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
CID 17374418
(2R)-N-(3-cyanothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 9275051
N-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide
CID 7578700
2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide
CID 114003459

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide (CID 65228936) is 2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide is CCCC(CN)C(=O)Nc1sccc1C#N.
What is the InChIKey of 2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide?
The InChIKey is IVFBTONNWDSKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-2-3-8(6-12)10(15)14-11-9(7-13)4-5-16-11/h4-5,8H,2-3,6,12H2,1H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide?
2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide has a molecular weight of 237.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide is sourced from PubChem (CID 65228936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).