N-[3-(1,3-dithiolan-2-yl)phenyl]morpholine-2-carboxamide

C14H18N2O2S2 — CID 119692150

IUPACN-[3-(1,3-dithiolan-2-yl)phenyl]morpholine-2-carboxamide
SMILESO=C(Nc1cccc(C2SCCS2)c1)C1CNCCO1
InChIInChI=1S/C14H18N2O2S2/c17-13(12-9-15-4-5-18-12)16-11-3-1-2-10(8-11)14-19-6-7-20-14/h1-3,8,12,14-15H,4-7,9H2,(H,16,17)
InChIKeyJGAUCKNBTDBYEZ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.09
Rot. Bonds3

About N-[3-(1,3-dithiolan-2-yl)phenyl]morpholine-2-carboxamide

N-[3-(1,3-dithiolan-2-yl)phenyl]morpholine-2-carboxamide (PubChem CID 119692150) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[3-(1,3-dithiolan-2-yl)phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dithiolan-2-yl)phenyl]morpholine-2-carboxamide
PubChem CID119692150
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-[3-(1,3-dithiolan-2-yl)phenyl]morpholine-2-carboxamide
SMILESO=C(Nc1cccc(C2SCCS2)c1)C1CNCCO1
InChIInChI=1S/C14H18N2O2S2/c17-13(12-9-15-4-5-18-12)16-11-3-1-2-10(8-11)14-19-6-7-20-14/h1-3,8,12,14-15H,4-7,9H2,(H,16,17)
InChIKeyJGAUCKNBTDBYEZ-UHFFFAOYSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119702027
(2R,3S)-N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120919732
N-(3-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675709
N-[3-(ethylcarbamoylamino)phenyl]morpholine-2-carboxamide
CID 119755895
N-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119712346
N-[3-(difluoromethylsulfonyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119770493
N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119745760
N-[3-(tert-butylsulfinylmethyl)phenyl]morpholine-2-carboxamide
CID 119790021
N-(2-oxochromen-6-yl)morpholine-2-carboxamide
CID 119743887
N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-2-carboxamide
CID 119724536
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dithiolan-2-yl)phenyl]morpholine-2-carboxamide?
The IUPAC name of N-[3-(1,3-dithiolan-2-yl)phenyl]morpholine-2-carboxamide (CID 119692150) is N-[3-(1,3-dithiolan-2-yl)phenyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[3-(1,3-dithiolan-2-yl)phenyl]morpholine-2-carboxamide?
The canonical SMILES for N-[3-(1,3-dithiolan-2-yl)phenyl]morpholine-2-carboxamide is O=C(Nc1cccc(C2SCCS2)c1)C1CNCCO1.
What is the InChIKey of N-[3-(1,3-dithiolan-2-yl)phenyl]morpholine-2-carboxamide?
The InChIKey is JGAUCKNBTDBYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c17-13(12-9-15-4-5-18-12)16-11-3-1-2-10(8-11)14-19-6-7-20-14/h1-3,8,12,14-15H,4-7,9H2,(H,16,17).
What are the key properties of N-[3-(1,3-dithiolan-2-yl)phenyl]morpholine-2-carboxamide?
N-[3-(1,3-dithiolan-2-yl)phenyl]morpholine-2-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dithiolan-2-yl)phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 119692150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).