N-(thiophen-2-ylmethyl)formamide

C6H7NOS — CID 21017864

IUPACN-(thiophen-2-ylmethyl)formamide
SMILESO=CNCc1cccs1
InChIInChI=1S/C6H7NOS/c8-5-7-4-6-2-1-3-9-6/h1-3,5H,4H2,(H,7,8)
InChIKeyBWXPQSDMOFLNKO-UHFFFAOYSA-N
MW141.19 g/mol
LogP0.99
Rot. Bonds3

About N-(thiophen-2-ylmethyl)formamide

N-(thiophen-2-ylmethyl)formamide (PubChem CID 21017864) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)formamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)formamide
PubChem CID21017864
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC NameN-(thiophen-2-ylmethyl)formamide
SMILESO=CNCc1cccs1
InChIInChI=1S/C6H7NOS/c8-5-7-4-6-2-1-3-9-6/h1-3,5H,4H2,(H,7,8)
InChIKeyBWXPQSDMOFLNKO-UHFFFAOYSA-N
XLogP0.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(thiophen-2-yl)methyl]acetamide
CID 30617
((Thiophen-2-yl)methyl)urea
CID 2799110
N-Methyl-1-(thiophen-2-yl)methanamine
CID 436153
(2-(Thiophen-2-yl)ethyl)urea
CID 4962323
2-Bromo-N-[(thiophen-2-yl)methyl]acetamide
CID 16641278
(Prop-2-en-1-yl)(thiophen-2-ylmethyl)amine
CID 2560646
Ethyl[(thiophen-2-yl)methyl]amine
CID 4716479
2-(Isocyanatomethyl)thiophene
CID 15890621
Methyl[(thiophen-2-yl)methyl]amine hydrochloride
CID 458574
N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 961381
2-Cyano-N-(2-thienylmethyl)acetamide
CID 601924
N-(3-Methoxypropyl)-N-(thien-2-ylmethyl)amine
CID 17206465

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)formamide?
The IUPAC name of N-(thiophen-2-ylmethyl)formamide (CID 21017864) is N-(thiophen-2-ylmethyl)formamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)formamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)formamide is O=CNCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)formamide?
The InChIKey is BWXPQSDMOFLNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c8-5-7-4-6-2-1-3-9-6/h1-3,5H,4H2,(H,7,8).
What are the key properties of N-(thiophen-2-ylmethyl)formamide?
N-(thiophen-2-ylmethyl)formamide has a molecular weight of 141.19 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)formamide is sourced from PubChem (CID 21017864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).