N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(difluoromethylsulfanyl)benzamide

C15H18F2N2OS — CID 94796573

IUPACN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(difluoromethylsulfanyl)benzamide
SMILESO=C(N[C@H]1CCN(C2CC2)C1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C15H18F2N2OS/c16-15(17)21-13-5-1-10(2-6-13)14(20)18-11-7-8-19(9-11)12-3-4-12/h1-2,5-6,11-12,15H,3-4,7-9H2,(H,18,20)/t11-/m0/s1
InChIKeyYFUFSBJCDOUVGH-NSHDSACASA-N
MW312.38 g/mol
LogP2.97
Rot. Bonds5

About N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(difluoromethylsulfanyl)benzamide

N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(difluoromethylsulfanyl)benzamide (PubChem CID 94796573) has the molecular formula C15H18F2N2OS and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(difluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(difluoromethylsulfanyl)benzamide
PubChem CID94796573
Molecular FormulaC15H18F2N2OS
Molecular Weight312.38 g/mol
Exact Mass312.11
IUPAC NameN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(difluoromethylsulfanyl)benzamide
SMILESO=C(N[C@H]1CCN(C2CC2)C1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C15H18F2N2OS/c16-15(17)21-13-5-1-10(2-6-13)14(20)18-11-7-8-19(9-11)12-3-4-12/h1-2,5-6,11-12,15H,3-4,7-9H2,(H,18,20)/t11-/m0/s1
InChIKeyYFUFSBJCDOUVGH-NSHDSACASA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide
CID 47938545
3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 103841788
N-(1-cyclopropylpiperidin-4-yl)-4-iodobenzamide
CID 60730497
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide
CID 26409604
N-(1-cyclopropylpyrrolidin-3-yl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47074742
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylbenzamide
CID 47938718
4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 82833146
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 62161092
N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 94796962
N-(1-cyclopropylpiperidin-4-yl)-4-phenylbenzamide
CID 26131227
N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide
CID 62661461
4-amino-N-(4-piperidin-1-ylcyclohexyl)benzamide
CID 143211763

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(difluoromethylsulfanyl)benzamide?
The IUPAC name of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(difluoromethylsulfanyl)benzamide (CID 94796573) is N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(difluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(difluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(difluoromethylsulfanyl)benzamide is O=C(N[C@H]1CCN(C2CC2)C1)c1ccc(SC(F)F)cc1.
What is the InChIKey of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(difluoromethylsulfanyl)benzamide?
The InChIKey is YFUFSBJCDOUVGH-NSHDSACASA-N. The full InChI is InChI=1S/C15H18F2N2OS/c16-15(17)21-13-5-1-10(2-6-13)14(20)18-11-7-8-19(9-11)12-3-4-12/h1-2,5-6,11-12,15H,3-4,7-9H2,(H,18,20)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(difluoromethylsulfanyl)benzamide?
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(difluoromethylsulfanyl)benzamide has a molecular weight of 312.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(difluoromethylsulfanyl)benzamide is sourced from PubChem (CID 94796573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).