N-(cyclopropylmethyl)-6-[2-(furan-2-yl)morpholin-4-yl]pyridine-3-sulfonamide

C17H21N3O4S — CID 133347151

IUPACN-(cyclopropylmethyl)-6-[2-(furan-2-yl)morpholin-4-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(N2CCOC(c3ccco3)C2)nc1
InChIInChI=1S/C17H21N3O4S/c21-25(22,19-10-13-3-4-13)14-5-6-17(18-11-14)20-7-9-24-16(12-20)15-2-1-8-23-15/h1-2,5-6,8,11,13,16,19H,3-4,7,9-10,12H2
InChIKeyLPSUWELGRKUYCM-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.94
Rot. Bonds6

About N-(cyclopropylmethyl)-6-[2-(furan-2-yl)morpholin-4-yl]pyridine-3-sulfonamide

N-(cyclopropylmethyl)-6-[2-(furan-2-yl)morpholin-4-yl]pyridine-3-sulfonamide (PubChem CID 133347151) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[2-(furan-2-yl)morpholin-4-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[2-(furan-2-yl)morpholin-4-yl]pyridine-3-sulfonamide
PubChem CID133347151
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN-(cyclopropylmethyl)-6-[2-(furan-2-yl)morpholin-4-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(N2CCOC(c3ccco3)C2)nc1
InChIInChI=1S/C17H21N3O4S/c21-25(22,19-10-13-3-4-13)14-5-6-17(18-11-14)20-7-9-24-16(12-20)15-2-1-8-23-15/h1-2,5-6,8,11,13,16,19H,3-4,7,9-10,12H2
InChIKeyLPSUWELGRKUYCM-UHFFFAOYSA-N
XLogP1.94
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[2-(furan-2-yl)morpholin-4-yl]pyridine-3-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-6-[2-(furan-2-yl)morpholin-4-yl]pyridine-3-sulfonamide (CID 133347151) is N-(cyclopropylmethyl)-6-[2-(furan-2-yl)morpholin-4-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[2-(furan-2-yl)morpholin-4-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-[2-(furan-2-yl)morpholin-4-yl]pyridine-3-sulfonamide is O=S(=O)(NCC1CC1)c1ccc(N2CCOC(c3ccco3)C2)nc1.
What is the InChIKey of N-(cyclopropylmethyl)-6-[2-(furan-2-yl)morpholin-4-yl]pyridine-3-sulfonamide?
The InChIKey is LPSUWELGRKUYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c21-25(22,19-10-13-3-4-13)14-5-6-17(18-11-14)20-7-9-24-16(12-20)15-2-1-8-23-15/h1-2,5-6,8,11,13,16,19H,3-4,7,9-10,12H2.
What are the key properties of N-(cyclopropylmethyl)-6-[2-(furan-2-yl)morpholin-4-yl]pyridine-3-sulfonamide?
N-(cyclopropylmethyl)-6-[2-(furan-2-yl)morpholin-4-yl]pyridine-3-sulfonamide has a molecular weight of 363.44 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[2-(furan-2-yl)morpholin-4-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 133347151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).