N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide

C12H28N2O3S — CID 114131476

IUPACN-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCOCCCCCNS(=O)(=O)CCCNC(C)C
InChIInChI=1S/C12H28N2O3S/c1-12(2)13-8-7-11-18(15,16)14-9-5-4-6-10-17-3/h12-14H,4-11H2,1-3H3
InChIKeyRUTDYFQBVAUBEJ-UHFFFAOYSA-N
MW280.43 g/mol
LogP1.11
Rot. Bonds12

About N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide

N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide (PubChem CID 114131476) has the molecular formula C12H28N2O3S and a molecular weight of 280.43 g/mol. Its IUPAC name is N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide
PubChem CID114131476
Molecular FormulaC12H28N2O3S
Molecular Weight280.43 g/mol
Exact Mass280.18
IUPAC NameN-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCOCCCCCNS(=O)(=O)CCCNC(C)C
InChIInChI=1S/C12H28N2O3S/c1-12(2)13-8-7-11-18(15,16)14-9-5-4-6-10-17-3/h12-14H,4-11H2,1-3H3
InChIKeyRUTDYFQBVAUBEJ-UHFFFAOYSA-N
XLogP1.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106092733
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038
N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106080388
N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
CID 107848783
N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106052801
N-(6-methylsulfanylhexyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090419
N-[3-(dimethylamino)propyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54974106
N-[2-(2-methylpropoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106085310
methyl 4-[3-(propan-2-ylamino)propylsulfamoyl]butanoate
CID 54952218
N-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106064537
N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide
CID 106092786

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The IUPAC name of N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide (CID 114131476) is N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The canonical SMILES for N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide is COCCCCCNS(=O)(=O)CCCNC(C)C.
What is the InChIKey of N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The InChIKey is RUTDYFQBVAUBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3S/c1-12(2)13-8-7-11-18(15,16)14-9-5-4-6-10-17-3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide?
N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide has a molecular weight of 280.43 g/mol, XLogP of 1.11, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide is sourced from PubChem (CID 114131476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).