N-cyclopropyl-2-phenylsulfanylacetamide

C11H13NOS — CID 881574

IUPACN-cyclopropyl-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC1CC1
InChIInChI=1S/C11H13NOS/c13-11(12-9-6-7-9)8-14-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,12,13)
InChIKeyHKYAABDJFKXZAD-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.06
Rot. Bonds4

About N-cyclopropyl-2-phenylsulfanylacetamide

N-cyclopropyl-2-phenylsulfanylacetamide (PubChem CID 881574) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is N-cyclopropyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-phenylsulfanylacetamide
PubChem CID881574
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC NameN-cyclopropyl-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC1CC1
InChIInChI=1S/C11H13NOS/c13-11(12-9-6-7-9)8-14-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,12,13)
InChIKeyHKYAABDJFKXZAD-UHFFFAOYSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-(Phenylthio)ethyl)acetamide
CID 13250272
N-[2-(tert-butylsulfanyl)ethyl]-2-(phenylsulfanyl)acetamide
CID 4339369
3-[(4-methylphenyl)sulfanyl]-N-(propan-2-yl)propanamide
CID 848239
N-cyclopentyl-3-phenylthiopropanamide
CID 875577
N-(3-ethoxypropyl)-2-(phenylthio)acetamide
CID 2180085
2-(benzenesulfonyl)-N-propan-2-ylacetamide
CID 3324748
N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16196693
N-cyclooctyl-2-phenylsulfanylacetamide
CID 894989
N-cyclopropyl-2-[(4-methylphenyl)sulfanyl]acetamide
CID 974968
N-cyclohexyl-2-(phenylsulfonyl)acetamide
CID 1264349
N-cycloheptyl-2-(phenylsulfanyl)acetamide
CID 2915329
N-cyclopropyl-2-[(4-methylphenyl)sulfanyl]propanamide
CID 2948463

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-phenylsulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-phenylsulfanylacetamide (CID 881574) is N-cyclopropyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-phenylsulfanylacetamide?
The InChIKey is HKYAABDJFKXZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c13-11(12-9-6-7-9)8-14-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,12,13).
What are the key properties of N-cyclopropyl-2-phenylsulfanylacetamide?
N-cyclopropyl-2-phenylsulfanylacetamide has a molecular weight of 207.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 881574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).