N-[2-[[(2-methylcycloheptyl)amino]methyl]thiophen-3-yl]acetamide

C15H24N2OS — CID 66386018

IUPACN-[2-[[(2-methylcycloheptyl)amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNC1CCCCCC1C
InChIInChI=1S/C15H24N2OS/c1-11-6-4-3-5-7-13(11)16-10-15-14(8-9-19-15)17-12(2)18/h8-9,11,13,16H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyJUKZZORUKZGFFQ-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.76
Rot. Bonds4

About N-[2-[[(2-methylcycloheptyl)amino]methyl]thiophen-3-yl]acetamide

N-[2-[[(2-methylcycloheptyl)amino]methyl]thiophen-3-yl]acetamide (PubChem CID 66386018) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[2-[[(2-methylcycloheptyl)amino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[(2-methylcycloheptyl)amino]methyl]thiophen-3-yl]acetamide
PubChem CID66386018
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[2-[[(2-methylcycloheptyl)amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNC1CCCCCC1C
InChIInChI=1S/C15H24N2OS/c1-11-6-4-3-5-7-13(11)16-10-15-14(8-9-19-15)17-12(2)18/h8-9,11,13,16H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyJUKZZORUKZGFFQ-UHFFFAOYSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(2-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide
CID 66385192
N-[2-[(cyclobutylamino)methyl]thiophen-3-yl]acetamide
CID 66387598
N-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide
CID 66386996
N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
CID 66384880
N-[2-[(2-cyclohexyloxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386410
N-[2-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]thiophen-3-yl]acetamide
CID 66387368
N-[2-[(thian-2-ylmethylamino)methyl]thiophen-3-yl]acetamide
CID 80595252
N-[2-[[(3-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide
CID 114117948
(1R,2R,3S)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 7839003
(1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 11923130
(1R,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 11923126
N-[2-[[2-(3-methylcyclohexyl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 66384800

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2-methylcycloheptyl)amino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[(2-methylcycloheptyl)amino]methyl]thiophen-3-yl]acetamide (CID 66386018) is N-[2-[[(2-methylcycloheptyl)amino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[(2-methylcycloheptyl)amino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[(2-methylcycloheptyl)amino]methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNC1CCCCCC1C.
What is the InChIKey of N-[2-[[(2-methylcycloheptyl)amino]methyl]thiophen-3-yl]acetamide?
The InChIKey is JUKZZORUKZGFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11-6-4-3-5-7-13(11)16-10-15-14(8-9-19-15)17-12(2)18/h8-9,11,13,16H,3-7,10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-[[(2-methylcycloheptyl)amino]methyl]thiophen-3-yl]acetamide?
N-[2-[[(2-methylcycloheptyl)amino]methyl]thiophen-3-yl]acetamide has a molecular weight of 280.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2-methylcycloheptyl)amino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66386018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).