N-[2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]thiophen-3-yl]acetamide

C13H22N2O2S — CID 66385194

IUPACN-[2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]thiophen-3-yl]acetamide
SMILESCCC(CC)(CO)NCc1sccc1NC(C)=O
InChIInChI=1S/C13H22N2O2S/c1-4-13(5-2,9-16)14-8-12-11(6-7-18-12)15-10(3)17/h6-7,14,16H,4-5,8-9H2,1-3H3,(H,15,17)
InChIKeyDOJXOMJRGZDIBD-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.35
Rot. Bonds7

About N-[2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]thiophen-3-yl]acetamide

N-[2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]thiophen-3-yl]acetamide (PubChem CID 66385194) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]thiophen-3-yl]acetamide
PubChem CID66385194
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]thiophen-3-yl]acetamide
SMILESCCC(CC)(CO)NCc1sccc1NC(C)=O
InChIInChI=1S/C13H22N2O2S/c1-4-13(5-2,9-16)14-8-12-11(6-7-18-12)15-10(3)17/h6-7,14,16H,4-5,8-9H2,1-3H3,(H,15,17)
InChIKeyDOJXOMJRGZDIBD-UHFFFAOYSA-N
XLogP2.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide
CID 106186084
methyl 2-[(3-acetamidothiophen-2-yl)methylamino]-2-methylpropanoate
CID 66387556
N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 115359068
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
N-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385318
N-[2-[(cyclobutylamino)methyl]thiophen-3-yl]acetamide
CID 66387598
N-[2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]thiophen-3-yl]acetamide
CID 79254280
4-[(3-acetamidothiophen-2-yl)methylamino]benzoic acid
CID 66387123
N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
CID 66384880
N-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide
CID 79101536
N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide
CID 66386316
N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66385931

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]thiophen-3-yl]acetamide (CID 66385194) is N-[2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]thiophen-3-yl]acetamide is CCC(CC)(CO)NCc1sccc1NC(C)=O.
What is the InChIKey of N-[2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]thiophen-3-yl]acetamide?
The InChIKey is DOJXOMJRGZDIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-13(5-2,9-16)14-8-12-11(6-7-18-12)15-10(3)17/h6-7,14,16H,4-5,8-9H2,1-3H3,(H,15,17).
What are the key properties of N-[2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]thiophen-3-yl]acetamide?
N-[2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]thiophen-3-yl]acetamide has a molecular weight of 270.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66385194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).