N-(cyanomethyl)-2-[(5-methylthiophen-2-yl)methylamino]acetamide

C10H13N3OS — CID 62054169

IUPACN-(cyanomethyl)-2-[(5-methylthiophen-2-yl)methylamino]acetamide
SMILESCc1ccc(CNCC(=O)NCC#N)s1
InChIInChI=1S/C10H13N3OS/c1-8-2-3-9(15-8)6-12-7-10(14)13-5-4-11/h2-3,12H,5-7H2,1H3,(H,13,14)
InChIKeyAYUPCTHQGHKKEM-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.79
Rot. Bonds5

About N-(cyanomethyl)-2-[(5-methylthiophen-2-yl)methylamino]acetamide

N-(cyanomethyl)-2-[(5-methylthiophen-2-yl)methylamino]acetamide (PubChem CID 62054169) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[(5-methylthiophen-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[(5-methylthiophen-2-yl)methylamino]acetamide
PubChem CID62054169
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-(cyanomethyl)-2-[(5-methylthiophen-2-yl)methylamino]acetamide
SMILESCc1ccc(CNCC(=O)NCC#N)s1
InChIInChI=1S/C10H13N3OS/c1-8-2-3-9(15-8)6-12-7-10(14)13-5-4-11/h2-3,12H,5-7H2,1H3,(H,13,14)
InChIKeyAYUPCTHQGHKKEM-UHFFFAOYSA-N
XLogP0.79
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide
CID 43399922
N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924305
N-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide
CID 106417912
2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 60776039
N-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide
CID 61043735
methyl 3-[(5-methylthiophen-2-yl)methylamino]propanoate
CID 43139690
methyl 2-[5-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894584
5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile
CID 62056210
2-[(2-bromophenyl)methylamino]-N-(cyanomethyl)acetamide
CID 61401918
methyl 4-[(5-methylthiophen-2-yl)methylamino]-4-oxobutanoate
CID 110733948
N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 28583464

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[(5-methylthiophen-2-yl)methylamino]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[(5-methylthiophen-2-yl)methylamino]acetamide (CID 62054169) is N-(cyanomethyl)-2-[(5-methylthiophen-2-yl)methylamino]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[(5-methylthiophen-2-yl)methylamino]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[(5-methylthiophen-2-yl)methylamino]acetamide is Cc1ccc(CNCC(=O)NCC#N)s1.
What is the InChIKey of N-(cyanomethyl)-2-[(5-methylthiophen-2-yl)methylamino]acetamide?
The InChIKey is AYUPCTHQGHKKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-8-2-3-9(15-8)6-12-7-10(14)13-5-4-11/h2-3,12H,5-7H2,1H3,(H,13,14).
What are the key properties of N-(cyanomethyl)-2-[(5-methylthiophen-2-yl)methylamino]acetamide?
N-(cyanomethyl)-2-[(5-methylthiophen-2-yl)methylamino]acetamide has a molecular weight of 223.30 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[(5-methylthiophen-2-yl)methylamino]acetamide is sourced from PubChem (CID 62054169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).