[3-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone

C12H16F2N2O2S — CID 119487308

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone
SMILESCc1cc(OC(F)F)c(C(=O)N2CCC(CN)C2)s1
InChIInChI=1S/C12H16F2N2O2S/c1-7-4-9(18-12(13)14)10(19-7)11(17)16-3-2-8(5-15)6-16/h4,8,12H,2-3,5-6,15H2,1H3
InChIKeyPIPVCDXPTIEJCZ-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.08
Rot. Bonds4

About [3-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone

[3-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone (PubChem CID 119487308) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone
PubChem CID119487308
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone
SMILESCc1cc(OC(F)F)c(C(=O)N2CCC(CN)C2)s1
InChIInChI=1S/C12H16F2N2O2S/c1-7-4-9(18-12(13)14)10(19-7)11(17)16-3-2-8(5-15)6-16/h4,8,12H,2-3,5-6,15H2,1H3
InChIKeyPIPVCDXPTIEJCZ-UHFFFAOYSA-N
XLogP2.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]piperidin-4-yl]acetic acid
CID 119178331
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone;hydrochloride
CID 119664700
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone
CID 120657272
2-[4-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid
CID 119248261
[3-(aminomethyl)pyrrolidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone;hydrochloride
CID 119483399
[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823495
(4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone
CID 68628444
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzothiophen-2-yl)methanone
CID 124611699
[3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119484103
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62067468
[3-(aminomethyl)pyrrolidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 62504749
N-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide
CID 119499716

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone (CID 119487308) is [3-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone is Cc1cc(OC(F)F)c(C(=O)N2CCC(CN)C2)s1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone?
The InChIKey is PIPVCDXPTIEJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-7-4-9(18-12(13)14)10(19-7)11(17)16-3-2-8(5-15)6-16/h4,8,12H,2-3,5-6,15H2,1H3.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone has a molecular weight of 290.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone is sourced from PubChem (CID 119487308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).