N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide

C13H18N2O4S — CID 103849579

IUPACN-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCC1(O)CCOC1
InChIInChI=1S/C13H18N2O4S/c16-11(15-8-13(18)3-5-19-9-13)1-4-14-12(17)10-2-6-20-7-10/h2,6-7,18H,1,3-5,8-9H2,(H,14,17)(H,15,16)
InChIKeyGELDYLWYCSOAPT-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.14
Rot. Bonds6

About N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 103849579) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID103849579
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCC1(O)CCOC1
InChIInChI=1S/C13H18N2O4S/c16-11(15-8-13(18)3-5-19-9-13)1-4-14-12(17)10-2-6-20-7-10/h2,6-7,18H,1,3-5,8-9H2,(H,14,17)(H,15,16)
InChIKeyGELDYLWYCSOAPT-UHFFFAOYSA-N
XLogP0.14
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide (CID 103849579) is N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)NCC1(O)CCOC1.
What is the InChIKey of N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is GELDYLWYCSOAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c16-11(15-8-13(18)3-5-19-9-13)1-4-14-12(17)10-2-6-20-7-10/h2,6-7,18H,1,3-5,8-9H2,(H,14,17)(H,15,16).
What are the key properties of N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 103849579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).