N-[1-(furan-2-yl)propan-2-yl]thiomorpholine-4-carboxamide

C12H18N2O2S — CID 51084583

IUPACN-[1-(furan-2-yl)propan-2-yl]thiomorpholine-4-carboxamide
SMILESCC(Cc1ccco1)NC(=O)N1CCSCC1
InChIInChI=1S/C12H18N2O2S/c1-10(9-11-3-2-6-16-11)13-12(15)14-4-7-17-8-5-14/h2-3,6,10H,4-5,7-9H2,1H3,(H,13,15)
InChIKeySWEBUSPPMCSDCV-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.97
Rot. Bonds3

About N-[1-(furan-2-yl)propan-2-yl]thiomorpholine-4-carboxamide

N-[1-(furan-2-yl)propan-2-yl]thiomorpholine-4-carboxamide (PubChem CID 51084583) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]thiomorpholine-4-carboxamide
PubChem CID51084583
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]thiomorpholine-4-carboxamide
SMILESCC(Cc1ccco1)NC(=O)N1CCSCC1
InChIInChI=1S/C12H18N2O2S/c1-10(9-11-3-2-6-16-11)13-12(15)14-4-7-17-8-5-14/h2-3,6,10H,4-5,7-9H2,1H3,(H,13,15)
InChIKeySWEBUSPPMCSDCV-UHFFFAOYSA-N
XLogP1.97
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]thiomorpholine-4-carboxamide (CID 51084583) is N-[1-(furan-2-yl)propan-2-yl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]thiomorpholine-4-carboxamide is CC(Cc1ccco1)NC(=O)N1CCSCC1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]thiomorpholine-4-carboxamide?
The InChIKey is SWEBUSPPMCSDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10(9-11-3-2-6-16-11)13-12(15)14-4-7-17-8-5-14/h2-3,6,10H,4-5,7-9H2,1H3,(H,13,15).
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]thiomorpholine-4-carboxamide?
N-[1-(furan-2-yl)propan-2-yl]thiomorpholine-4-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 51084583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).