N-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide

C13H21N3OS — CID 66386996

IUPACN-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNC1CCC(N)CC1
InChIInChI=1S/C13H21N3OS/c1-9(17)16-12-6-7-18-13(12)8-15-11-4-2-10(14)3-5-11/h6-7,10-11,15H,2-5,8,14H2,1H3,(H,16,17)
InChIKeyAFSHUXGVLQGGSP-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.07
Rot. Bonds4

About N-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide

N-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide (PubChem CID 66386996) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide
PubChem CID66386996
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNC1CCC(N)CC1
InChIInChI=1S/C13H21N3OS/c1-9(17)16-12-6-7-18-13(12)8-15-11-4-2-10(14)3-5-11/h6-7,10-11,15H,2-5,8,14H2,1H3,(H,16,17)
InChIKeyAFSHUXGVLQGGSP-UHFFFAOYSA-N
XLogP2.07
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(cyclobutylamino)methyl]thiophen-3-yl]acetamide
CID 66387598
N-[2-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]thiophen-3-yl]acetamide
CID 66387368
N-[2-[[(3-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide
CID 114117948
N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
CID 66384880
N-[2-[[(2-methylcycloheptyl)amino]methyl]thiophen-3-yl]acetamide
CID 66386018
N-[2-[[(2-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide
CID 66385192
4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine
CID 115149897
N-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide
CID 79101536
N-[2-[(2-cyclohexyloxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386410
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
N-[2-[[2-(3-methylcyclohexyl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 66384800
N-[2-[(thian-2-ylmethylamino)methyl]thiophen-3-yl]acetamide
CID 80595252

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide (CID 66386996) is N-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNC1CCC(N)CC1.
What is the InChIKey of N-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide?
The InChIKey is AFSHUXGVLQGGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(17)16-12-6-7-18-13(12)8-15-11-4-2-10(14)3-5-11/h6-7,10-11,15H,2-5,8,14H2,1H3,(H,16,17).
What are the key properties of N-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide?
N-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide has a molecular weight of 267.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66386996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).