N-cyclopropyl-1-(1,4-dioxan-2-yl)-N-[(2-methylphenyl)methyl]methanesulfonamide

C16H23NO4S — CID 146149449

IUPACN-cyclopropyl-1-(1,4-dioxan-2-yl)-N-[(2-methylphenyl)methyl]methanesulfonamide
SMILESCc1ccccc1CN(C1CC1)S(=O)(=O)CC1COCCO1
InChIInChI=1S/C16H23NO4S/c1-13-4-2-3-5-14(13)10-17(15-6-7-15)22(18,19)12-16-11-20-8-9-21-16/h2-5,15-16H,6-12H2,1H3
InChIKeyWSCGTORPHFJSEE-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.70
Rot. Bonds6

About N-cyclopropyl-1-(1,4-dioxan-2-yl)-N-[(2-methylphenyl)methyl]methanesulfonamide

N-cyclopropyl-1-(1,4-dioxan-2-yl)-N-[(2-methylphenyl)methyl]methanesulfonamide (PubChem CID 146149449) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-cyclopropyl-1-(1,4-dioxan-2-yl)-N-[(2-methylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(1,4-dioxan-2-yl)-N-[(2-methylphenyl)methyl]methanesulfonamide
PubChem CID146149449
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC NameN-cyclopropyl-1-(1,4-dioxan-2-yl)-N-[(2-methylphenyl)methyl]methanesulfonamide
SMILESCc1ccccc1CN(C1CC1)S(=O)(=O)CC1COCCO1
InChIInChI=1S/C16H23NO4S/c1-13-4-2-3-5-14(13)10-17(15-6-7-15)22(18,19)12-16-11-20-8-9-21-16/h2-5,15-16H,6-12H2,1H3
InChIKeyWSCGTORPHFJSEE-UHFFFAOYSA-N
XLogP1.70
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(1,4-dioxan-2-yl)-N-[(2-methylphenyl)methyl]methanesulfonamide?
The IUPAC name of N-cyclopropyl-1-(1,4-dioxan-2-yl)-N-[(2-methylphenyl)methyl]methanesulfonamide (CID 146149449) is N-cyclopropyl-1-(1,4-dioxan-2-yl)-N-[(2-methylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-cyclopropyl-1-(1,4-dioxan-2-yl)-N-[(2-methylphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-cyclopropyl-1-(1,4-dioxan-2-yl)-N-[(2-methylphenyl)methyl]methanesulfonamide is Cc1ccccc1CN(C1CC1)S(=O)(=O)CC1COCCO1.
What is the InChIKey of N-cyclopropyl-1-(1,4-dioxan-2-yl)-N-[(2-methylphenyl)methyl]methanesulfonamide?
The InChIKey is WSCGTORPHFJSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-13-4-2-3-5-14(13)10-17(15-6-7-15)22(18,19)12-16-11-20-8-9-21-16/h2-5,15-16H,6-12H2,1H3.
What are the key properties of N-cyclopropyl-1-(1,4-dioxan-2-yl)-N-[(2-methylphenyl)methyl]methanesulfonamide?
N-cyclopropyl-1-(1,4-dioxan-2-yl)-N-[(2-methylphenyl)methyl]methanesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(1,4-dioxan-2-yl)-N-[(2-methylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 146149449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).