N-(3-methoxypropyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide

C13H27N3O4S — CID 113137809

IUPACN-(3-methoxypropyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCOCCCN(CCC(=O)N1CCN(C)CC1)S(C)(=O)=O
InChIInChI=1S/C13H27N3O4S/c1-14-8-10-15(11-9-14)13(17)5-7-16(21(3,18)19)6-4-12-20-2/h4-12H2,1-3H3
InChIKeyRVMCOSLGYOMXBI-UHFFFAOYSA-N
MW321.44 g/mol
LogP-0.55
Rot. Bonds8

About N-(3-methoxypropyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide

N-(3-methoxypropyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113137809) has the molecular formula C13H27N3O4S and a molecular weight of 321.44 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113137809
Molecular FormulaC13H27N3O4S
Molecular Weight321.44 g/mol
Exact Mass321.17
IUPAC NameN-(3-methoxypropyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCOCCCN(CCC(=O)N1CCN(C)CC1)S(C)(=O)=O
InChIInChI=1S/C13H27N3O4S/c1-14-8-10-15(11-9-14)13(17)5-7-16(21(3,18)19)6-4-12-20-2/h4-12H2,1-3H3
InChIKeyRVMCOSLGYOMXBI-UHFFFAOYSA-N
XLogP-0.55
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113137802
N-(3-methoxypropyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113137844
3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62985898
ethyl 4-[3-[butyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate
CID 113136690
3-methoxy-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 108569718
N-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113139306
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide
CID 113149469
methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate
CID 78959529
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
CID 113148449
1-(4-iodopiperazin-1-yl)-4-methoxybutan-1-one
CID 174268903
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide
CID 113149458
N-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)ethanesulfonamide
CID 50775977

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-(3-methoxypropyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide (CID 113137809) is N-(3-methoxypropyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide is COCCCN(CCC(=O)N1CCN(C)CC1)S(C)(=O)=O.
What is the InChIKey of N-(3-methoxypropyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is RVMCOSLGYOMXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4S/c1-14-8-10-15(11-9-14)13(17)5-7-16(21(3,18)19)6-4-12-20-2/h4-12H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
N-(3-methoxypropyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 321.44 g/mol, XLogP of -0.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113137809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).