2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide

C12H18N2O2S — CID 111441285

IUPAC2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
SMILESCN(CC(=O)NCC(O)c1ccsc1)C1CC1
InChIInChI=1S/C12H18N2O2S/c1-14(10-2-3-10)7-12(16)13-6-11(15)9-4-5-17-8-9/h4-5,8,10-11,15H,2-3,6-7H2,1H3,(H,13,16)
InChIKeyYFSSHGIZHPCNJY-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.99
Rot. Bonds6

About 2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide

2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide (PubChem CID 111441285) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
PubChem CID111441285
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
SMILESCN(CC(=O)NCC(O)c1ccsc1)C1CC1
InChIInChI=1S/C12H18N2O2S/c1-14(10-2-3-10)7-12(16)13-6-11(15)9-4-5-17-8-9/h4-5,8,10-11,15H,2-3,6-7H2,1H3,(H,13,16)
InChIKeyYFSSHGIZHPCNJY-UHFFFAOYSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
2-[cyclopropyl(methyl)amino]-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]acetamide
CID 111424720
3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434922
2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 111423733
2-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103771707
2-(4-aminopiperidin-1-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103812158
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 71861276
3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide
CID 106435427
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 103686179
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
CID 106435169

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide (CID 111441285) is 2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide is CN(CC(=O)NCC(O)c1ccsc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The InChIKey is YFSSHGIZHPCNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-14(10-2-3-10)7-12(16)13-6-11(15)9-4-5-17-8-9/h4-5,8,10-11,15H,2-3,6-7H2,1H3,(H,13,16).
What are the key properties of 2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide has a molecular weight of 254.35 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 111441285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).