2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide

C12H16N2OS — CID 43722610

IUPAC2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCC1CC1
InChIInChI=1S/C12H16N2OS/c13-12(15)8-16-11-4-2-1-3-10(11)14-7-9-5-6-9/h1-4,9,14H,5-8H2,(H2,13,15)
InChIKeyVZYQEVVAYAPYJU-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.09
Rot. Bonds6

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

2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide (PubChem CID 43722610) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide
PubChem CID43722610
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCC1CC1
InChIInChI=1S/C12H16N2OS/c13-12(15)8-16-11-4-2-1-3-10(11)14-7-9-5-6-9/h1-4,9,14H,5-8H2,(H2,13,15)
InChIKeyVZYQEVVAYAPYJU-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722597
2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide
CID 43722530
2-[[2-(2-amino-2-oxoethyl)sulfanylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974553
2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 43722551
2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 62709162
2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide
CID 43231952
2-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]sulfanylacetamide
CID 107441649
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 115762712
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide
CID 51248663
2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 43722550

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide (CID 43722610) is 2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NCC1CC1.
What is the InChIKey of 2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide?
The InChIKey is VZYQEVVAYAPYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c13-12(15)8-16-11-4-2-1-3-10(11)14-7-9-5-6-9/h1-4,9,14H,5-8H2,(H2,13,15).
What are the key properties of 2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide?
2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide has a molecular weight of 236.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide is sourced from PubChem (CID 43722610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).