N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide

C20H33N3O3S — CID 112505103

IUPACN-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
SMILESCN1CCC(CNS(=O)(=O)CCCc2ccccc2)(N2CCOCC2)CC1
InChIInChI=1S/C20H33N3O3S/c1-22-11-9-20(10-12-22,23-13-15-26-16-14-23)18-21-27(24,25)17-5-8-19-6-3-2-4-7-19/h2-4,6-7,21H,5,8-18H2,1H3
InChIKeyZOFKMVUYMKIWRI-UHFFFAOYSA-N
MW395.57 g/mol
LogP1.34
Rot. Bonds8

About N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide

N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide (PubChem CID 112505103) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
PubChem CID112505103
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
SMILESCN1CCC(CNS(=O)(=O)CCCc2ccccc2)(N2CCOCC2)CC1
InChIInChI=1S/C20H33N3O3S/c1-22-11-9-20(10-12-22,23-13-15-26-16-14-23)18-21-27(24,25)17-5-8-19-6-3-2-4-7-19/h2-4,6-7,21H,5,8-18H2,1H3
InChIKeyZOFKMVUYMKIWRI-UHFFFAOYSA-N
XLogP1.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide
CID 39711649
4-(3-phenylpropylsulfonyl)morpholine
CID 560201
4-[1-(2-phenylethyl)cyclopropyl]morpholine
CID 102513779
4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 112505089
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide
CID 110622688
(E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide
CID 110303397
3-(3-fluorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide
CID 110622703
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
CID 113090696
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide
CID 112506427
2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide
CID 112505032
1-methyl-4-(3-phenylpropyl)piperidin-4-ol
CID 65146368

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide (CID 112505103) is N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide is CN1CCC(CNS(=O)(=O)CCCc2ccccc2)(N2CCOCC2)CC1.
What is the InChIKey of N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is ZOFKMVUYMKIWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-22-11-9-20(10-12-22,23-13-15-26-16-14-23)18-21-27(24,25)17-5-8-19-6-3-2-4-7-19/h2-4,6-7,21H,5,8-18H2,1H3.
What are the key properties of N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide?
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 395.57 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 112505103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).