2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide

C15H20N2OS — CID 43722597

IUPAC2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NC(C1CC1)C1CC1
InChIInChI=1S/C15H20N2OS/c16-14(18)9-19-13-4-2-1-3-12(13)17-15(10-5-6-10)11-7-8-11/h1-4,10-11,15,17H,5-9H2,(H2,16,18)
InChIKeyJUJUFROFUPVVQC-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.86
Rot. Bonds7

About 2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide

2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide (PubChem CID 43722597) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide
PubChem CID43722597
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NC(C1CC1)C1CC1
InChIInChI=1S/C15H20N2OS/c16-14(18)9-19-13-4-2-1-3-12(13)17-15(10-5-6-10)11-7-8-11/h1-4,10-11,15,17H,5-9H2,(H2,16,18)
InChIKeyJUJUFROFUPVVQC-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 62709162
N-(dicyclopropylmethyl)-2-ethylsulfanylaniline
CID 54865167
2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722610
2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide
CID 115928559
2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide
CID 9044707
2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide
CID 43722530
N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43691388
2-[[2-(2-amino-2-oxoethyl)sulfanylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974553
2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 43722551
(2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-cyclohexyl-N-methylpropanamide
CID 9044749
2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide (CID 43722597) is 2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NC(C1CC1)C1CC1.
What is the InChIKey of 2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide?
The InChIKey is JUJUFROFUPVVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c16-14(18)9-19-13-4-2-1-3-12(13)17-15(10-5-6-10)11-7-8-11/h1-4,10-11,15,17H,5-9H2,(H2,16,18).
What are the key properties of 2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide?
2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide has a molecular weight of 276.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide is sourced from PubChem (CID 43722597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).