N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide

C16H22N2OS — CID 78870756

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NCC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C16H22N2OS/c1-20-15-6-2-13(3-7-15)16(19)17-10-12-8-9-18(11-12)14-4-5-14/h2-3,6-7,12,14H,4-5,8-11H2,1H3,(H,17,19)
InChIKeyMXQMHSKONATPNK-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.62
Rot. Bonds5

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide (PubChem CID 78870756) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
PubChem CID78870756
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NCC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C16H22N2OS/c1-20-15-6-2-13(3-7-15)16(19)17-10-12-8-9-18(11-12)14-4-5-14/h2-3,6-7,12,14H,4-5,8-11H2,1H3,(H,17,19)
InChIKeyMXQMHSKONATPNK-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide
CID 47031179
N-[(4-chlorocyclohexyl)methyl]-4-methylsulfanylbenzamide
CID 106133906
6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61052814
N-[(4-bromocyclohexyl)methyl]-4-methylsulfanylbenzamide
CID 106134799
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998447
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-hydroxypyridine-3-carboxamide
CID 124553912
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 93422584
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 122564823
2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 113255193
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide
CID 78950614
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 60567051

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide (CID 78870756) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide is CSc1ccc(C(=O)NCC2CCN(C3CC3)C2)cc1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide?
The InChIKey is MXQMHSKONATPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-20-15-6-2-13(3-7-15)16(19)17-10-12-8-9-18(11-12)14-4-5-14/h2-3,6-7,12,14H,4-5,8-11H2,1H3,(H,17,19).
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide has a molecular weight of 290.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 78870756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).