N-(1-phenylpropan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C15H21NOS — CID 107029228

IUPACN-(1-phenylpropan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC(Cc1ccccc1)NC(=O)CC1(CS)CC1
InChIInChI=1S/C15H21NOS/c1-12(9-13-5-3-2-4-6-13)16-14(17)10-15(11-18)7-8-15/h2-6,12,18H,7-11H2,1H3,(H,16,17)
InChIKeyWNUXSCUTMROGKW-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.83
Rot. Bonds6

About N-(1-phenylpropan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(1-phenylpropan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107029228) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107029228
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-(1-phenylpropan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC(Cc1ccccc1)NC(=O)CC1(CS)CC1
InChIInChI=1S/C15H21NOS/c1-12(9-13-5-3-2-4-6-13)16-14(17)10-15(11-18)7-8-15/h2-6,12,18H,7-11H2,1H3,(H,16,17)
InChIKeyWNUXSCUTMROGKW-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933
3-chloro-N-(1-phenylpropan-2-yl)propanamide
CID 3550913
5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 54852739
N-(1-phenylpropan-2-yl)acetamide;toluene
CID 157258470
N-(1-phenylpropan-2-yl)-2-phenylsulfanylacetamide
CID 142934157
ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide
CID 177356857
2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 81168869
2-[2-(aminomethyl)phenyl]-N-(1-phenylpropan-2-yl)acetamide
CID 81312625
4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride
CID 138397977
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
2-[(2-methylpropan-2-yl)oxy]-N-(1-phenylpropan-2-yl)acetamide
CID 112605295

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(1-phenylpropan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107029228) is N-(1-phenylpropan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(1-phenylpropan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(1-phenylpropan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CC(Cc1ccccc1)NC(=O)CC1(CS)CC1.
What is the InChIKey of N-(1-phenylpropan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is WNUXSCUTMROGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-12(9-13-5-3-2-4-6-13)16-14(17)10-15(11-18)7-8-15/h2-6,12,18H,7-11H2,1H3,(H,16,17).
What are the key properties of N-(1-phenylpropan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(1-phenylpropan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 263.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107029228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).