N-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide

C14H22N4O4S — CID 136566388

IUPACN-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(=O)N2CCOCC2CC2CC2)c1
InChIInChI=1S/C14H22N4O4S/c1-17-8-13(15-10-17)23(20,21)16-7-14(19)18-4-5-22-9-12(18)6-11-2-3-11/h8,10-12,16H,2-7,9H2,1H3
InChIKeyPJKLAIJPEWHMEX-UHFFFAOYSA-N
MW342.42 g/mol
LogP-0.27
Rot. Bonds6

About N-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide

N-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 136566388) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide
PubChem CID136566388
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(=O)N2CCOCC2CC2CC2)c1
InChIInChI=1S/C14H22N4O4S/c1-17-8-13(15-10-17)23(20,21)16-7-14(19)18-4-5-22-9-12(18)6-11-2-3-11/h8,10-12,16H,2-7,9H2,1H3
InChIKeyPJKLAIJPEWHMEX-UHFFFAOYSA-N
XLogP-0.27
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide (CID 136566388) is N-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC(=O)N2CCOCC2CC2CC2)c1.
What is the InChIKey of N-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is PJKLAIJPEWHMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-17-8-13(15-10-17)23(20,21)16-7-14(19)18-4-5-22-9-12(18)6-11-2-3-11/h8,10-12,16H,2-7,9H2,1H3.
What are the key properties of N-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide?
N-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 136566388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).