N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide

C15H22N2O2S — CID 119575363

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)NC(C)(CN)C2CC2)c1
InChIInChI=1S/C15H22N2O2S/c1-15(10-16,11-6-7-11)17-14(18)9-20-13-5-3-4-12(8-13)19-2/h3-5,8,11H,6-7,9-10,16H2,1-2H3,(H,17,18)
InChIKeySHTXXCKJZKERFX-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.03
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide (PubChem CID 119575363) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide
PubChem CID119575363
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)NC(C)(CN)C2CC2)c1
InChIInChI=1S/C15H22N2O2S/c1-15(10-16,11-6-7-11)17-14(18)9-20-13-5-3-4-12(8-13)19-2/h3-5,8,11H,6-7,9-10,16H2,1-2H3,(H,17,18)
InChIKeySHTXXCKJZKERFX-UHFFFAOYSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 119572330
N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 119604496
2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453540
1-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 64812986
2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide
CID 63917104
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2,6-dimethoxyphenyl)acetamide;hydrochloride
CID 119574609
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 119572344
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-methoxyanilino)acetamide;dihydrochloride
CID 119572973
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 119458861
2-(3-methoxyphenyl)sulfanyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95617068
2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95617067
2-(3-methoxyphenyl)sulfanyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 56783989

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide (CID 119575363) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide is COc1cccc(SCC(=O)NC(C)(CN)C2CC2)c1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide?
The InChIKey is SHTXXCKJZKERFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-15(10-16,11-6-7-11)17-14(18)9-20-13-5-3-4-12(8-13)19-2/h3-5,8,11H,6-7,9-10,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide has a molecular weight of 294.42 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 119575363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).