N-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide

C16H24N2OS — CID 64664243

IUPACN-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide
SMILESCCCNC(C)c1cccc(SCC(=O)NC2CC2)c1
InChIInChI=1S/C16H24N2OS/c1-3-9-17-12(2)13-5-4-6-15(10-13)20-11-16(19)18-14-7-8-14/h4-6,10,12,14,17H,3,7-9,11H2,1-2H3,(H,18,19)
InChIKeyMNMMIHLGKMCCST-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.12
Rot. Bonds8

About N-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide

N-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide (PubChem CID 64664243) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide
PubChem CID64664243
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide
SMILESCCCNC(C)c1cccc(SCC(=O)NC2CC2)c1
InChIInChI=1S/C16H24N2OS/c1-3-9-17-12(2)13-5-4-6-15(10-13)20-11-16(19)18-14-7-8-14/h4-6,10,12,14,17H,3,7-9,11H2,1-2H3,(H,18,19)
InChIKeyMNMMIHLGKMCCST-UHFFFAOYSA-N
XLogP3.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665950
N-[1-[3-(2-methylpropylsulfanyl)phenyl]ethyl]propan-1-amine
CID 64664023
N-[1-[3-(2-butoxyethylsulfanyl)phenyl]ethyl]propan-1-amine
CID 64663818
N-cyclopropyl-N-ethyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylacetamide
CID 64663797
N-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide
CID 64665708
N-[1-(3-prop-2-enylsulfanylphenyl)ethyl]propan-1-amine
CID 64665924
N-[1-(3-heptylsulfanylphenyl)ethyl]propan-1-amine
CID 64665512
2-methyl-4-[3-[1-(propylamino)ethyl]phenyl]sulfanylbutan-2-ol
CID 79355109
N-cyclopropyl-3-[1-(3-nitrophenyl)ethylamino]propanamide
CID 79139425
N-[1-[3-(3,3-dimethylbutylsulfanyl)phenyl]ethyl]propan-1-amine
CID 64667020
N-[1-[3-[2-(3-methylbutoxy)ethylsulfanyl]phenyl]ethyl]propan-1-amine
CID 64664028
N-cyclopentyl-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099453

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide (CID 64664243) is N-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide is CCCNC(C)c1cccc(SCC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide?
The InChIKey is MNMMIHLGKMCCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-9-17-12(2)13-5-4-6-15(10-13)20-11-16(19)18-14-7-8-14/h4-6,10,12,14,17H,3,7-9,11H2,1-2H3,(H,18,19).
What are the key properties of N-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide?
N-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide has a molecular weight of 292.45 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide is sourced from PubChem (CID 64664243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).