(3-aminothiophen-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

C14H21N3O2S — CID 61115634

IUPAC(3-aminothiophen-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESNc1ccsc1C(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C14H21N3O2S/c15-12-3-9-20-13(12)14(18)17-6-4-16(5-7-17)10-11-2-1-8-19-11/h3,9,11H,1-2,4-8,10,15H2
InChIKeyBHXRXIRDVJXTEW-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.27
Rot. Bonds3

About (3-aminothiophen-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

(3-aminothiophen-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 61115634) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is (3-aminothiophen-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminothiophen-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID61115634
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name(3-aminothiophen-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESNc1ccsc1C(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C14H21N3O2S/c15-12-3-9-20-13(12)14(18)17-6-4-16(5-7-17)10-11-2-1-8-19-11/h3,9,11H,1-2,4-8,10,15H2
InChIKeyBHXRXIRDVJXTEW-UHFFFAOYSA-N
XLogP1.27
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromothiophen-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 60739680
(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 51237618
(4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 62686709
(2,6-difluorophenyl)-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]methanone
CID 95258451
(5-chlorofuran-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 103601974
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
3-amino-N-[2-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 61127532
[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9209032
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55583079
1-[5-[4-(oxolan-2-ylmethyl)-1,4-diazepane-1-carbonyl]thiophen-2-yl]ethanone
CID 51078708
N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
CID 55349251
oxan-2-ylmethyl 3-aminothiophene-2-carboxylate
CID 61308304

Frequently Asked Questions

What is the IUPAC name of (3-aminothiophen-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-aminothiophen-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (CID 61115634) is (3-aminothiophen-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-aminothiophen-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-aminothiophen-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is Nc1ccsc1C(=O)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of (3-aminothiophen-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is BHXRXIRDVJXTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c15-12-3-9-20-13(12)14(18)17-6-4-16(5-7-17)10-11-2-1-8-19-11/h3,9,11H,1-2,4-8,10,15H2.
What are the key properties of (3-aminothiophen-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
(3-aminothiophen-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 295.41 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothiophen-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 61115634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).