N-cyclopropyl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide

C16H24N2OS — CID 66347114

IUPACN-cyclopropyl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide
SMILESCC(C)NCc1cccc(SCCC(=O)NC2CC2)c1
InChIInChI=1S/C16H24N2OS/c1-12(2)17-11-13-4-3-5-15(10-13)20-9-8-16(19)18-14-6-7-14/h3-5,10,12,14,17H,6-9,11H2,1-2H3,(H,18,19)
InChIKeyNYTICZRTLWHGFS-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.95
Rot. Bonds8

About N-cyclopropyl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide

N-cyclopropyl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide (PubChem CID 66347114) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide
PubChem CID66347114
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-cyclopropyl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide
SMILESCC(C)NCc1cccc(SCCC(=O)NC2CC2)c1
InChIInChI=1S/C16H24N2OS/c1-12(2)17-11-13-4-3-5-15(10-13)20-9-8-16(19)18-14-6-7-14/h3-5,10,12,14,17H,6-9,11H2,1-2H3,(H,18,19)
InChIKeyNYTICZRTLWHGFS-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide
CID 66349249
N-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine
CID 66347703
3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide
CID 62626638
N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine
CID 66349042
1-piperidin-1-yl-2-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylethanone
CID 66348467
N-(3-methylbutyl)-2-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylacetamide
CID 66348468
N-[[3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]phenyl]methyl]propan-2-amine
CID 82888283
N-[[3-(2-methylprop-2-enylsulfanyl)phenyl]methyl]propan-2-amine
CID 66347696
N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665950
1-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylbutan-2-ol
CID 66347490
N-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide
CID 66348936
N-[[3-(4-methylpentylsulfanyl)phenyl]methyl]cyclopropanamine
CID 83169209

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide?
The IUPAC name of N-cyclopropyl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide (CID 66347114) is N-cyclopropyl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide.
What is the SMILES notation for N-cyclopropyl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide?
The canonical SMILES for N-cyclopropyl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide is CC(C)NCc1cccc(SCCC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide?
The InChIKey is NYTICZRTLWHGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12(2)17-11-13-4-3-5-15(10-13)20-9-8-16(19)18-14-6-7-14/h3-5,10,12,14,17H,6-9,11H2,1-2H3,(H,18,19).
What are the key properties of N-cyclopropyl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide?
N-cyclopropyl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide has a molecular weight of 292.45 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide is sourced from PubChem (CID 66347114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).