N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide

C13H17NOS — CID 51076427

IUPACN-(cyclopropylmethyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCC1CC1
InChIInChI=1S/C13H17NOS/c15-13(14-10-11-6-7-11)8-9-16-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,14,15)
InChIKeyNGKRUXQQYTXTDV-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.69
Rot. Bonds6

About N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide

N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide (PubChem CID 51076427) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-phenylsulfanylpropanamide
PubChem CID51076427
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-(cyclopropylmethyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCC1CC1
InChIInChI=1S/C13H17NOS/c15-13(14-10-11-6-7-11)8-9-16-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,14,15)
InChIKeyNGKRUXQQYTXTDV-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide
CID 106121354
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 55315732
3-(4-fluorophenyl)sulfanyl-N-[(4-hydroxycyclohexyl)methyl]propanamide
CID 106123655
3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide
CID 100682032
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
N-[2-(oxan-4-ylsulfanyl)ethyl]-3-phenylsulfanylpropanamide
CID 86265193
N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-phenylsulfanylpropanamide
CID 71961558
3-phenylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78786041
4-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 43239197
N-(3-methoxypropyl)-3-phenylsulfanylpropanamide
CID 3138314
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-phenylsulfanylpropanamide
CID 2453420
N-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide
CID 86918327

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide (CID 51076427) is N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide?
The InChIKey is NGKRUXQQYTXTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c15-13(14-10-11-6-7-11)8-9-16-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,14,15).
What are the key properties of N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide?
N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide has a molecular weight of 235.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 51076427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).