3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide

C13H20N2O2S — CID 114153572

IUPAC3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC(c1cccs1)C1CCCC1
InChIInChI=1S/C13H20N2O2S/c14-13(17)10(16)8-15-12(9-4-1-2-5-9)11-6-3-7-18-11/h3,6-7,9-10,12,15-16H,1-2,4-5,8H2,(H2,14,17)
InChIKeyKMRYDGZUEKCMCL-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.42
Rot. Bonds6

About 3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide

3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide (PubChem CID 114153572) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide
PubChem CID114153572
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC(c1cccs1)C1CCCC1
InChIInChI=1S/C13H20N2O2S/c14-13(17)10(16)8-15-12(9-4-1-2-5-9)11-6-3-7-18-11/h3,6-7,9-10,12,15-16H,1-2,4-5,8H2,(H2,14,17)
InChIKeyKMRYDGZUEKCMCL-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine
CID 60816179
2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide
CID 115900267
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 113220009
1-[2-[3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropoxy]phenyl]ethanone
CID 138961033
tert-butyl N-[1-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-yl]carbamate
CID 107247756
1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 138960997
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
[cyclooctyl(thiophen-2-yl)methyl]hydrazine
CID 105255061
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol
CID 66091284
2-(cyclopentylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 60847966

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide?
The IUPAC name of 3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide (CID 114153572) is 3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide is NC(=O)C(O)CNC(c1cccs1)C1CCCC1.
What is the InChIKey of 3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide?
The InChIKey is KMRYDGZUEKCMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c14-13(17)10(16)8-15-12(9-4-1-2-5-9)11-6-3-7-18-11/h3,6-7,9-10,12,15-16H,1-2,4-5,8H2,(H2,14,17).
What are the key properties of 3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide?
3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide has a molecular weight of 268.38 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide is sourced from PubChem (CID 114153572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).