N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide

C11H26N2O3S — CID 63010138

IUPACN-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCOCCCN(C)S(=O)(=O)CCCNC(C)C
InChIInChI=1S/C11H26N2O3S/c1-11(2)12-7-5-10-17(14,15)13(3)8-6-9-16-4/h11-12H,5-10H2,1-4H3
InChIKeySZOIEVAFRCPOBE-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.67
Rot. Bonds10

About N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide

N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide (PubChem CID 63010138) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide
PubChem CID63010138
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC NameN-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCOCCCN(C)S(=O)(=O)CCCNC(C)C
InChIInChI=1S/C11H26N2O3S/c1-11(2)12-7-5-10-17(14,15)13(3)8-6-9-16-4/h11-12H,5-10H2,1-4H3
InChIKeySZOIEVAFRCPOBE-UHFFFAOYSA-N
XLogP0.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide
CID 81067991
N-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54986230
N-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide
CID 165444690
N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114131476
N-(2-bromoethyl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 80668783
N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972433
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 55004039
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102994809
N-(4-methoxyphenyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 62002866
N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62448411
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
N-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide
CID 107206313

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide?
The IUPAC name of N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide (CID 63010138) is N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide is COCCCN(C)S(=O)(=O)CCCNC(C)C.
What is the InChIKey of N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide?
The InChIKey is SZOIEVAFRCPOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-11(2)12-7-5-10-17(14,15)13(3)8-6-9-16-4/h11-12H,5-10H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide?
N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide is sourced from PubChem (CID 63010138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).