N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide

C11H27N3O2S — CID 114137559

IUPACN-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NCC(C)N(C)C
InChIInChI=1S/C11H27N3O2S/c1-9(2)12-8-11(4)17(15,16)13-7-10(3)14(5)6/h9-13H,7-8H2,1-6H3
InChIKeyFMZQHRGRNHFJNO-UHFFFAOYSA-N
MW265.42 g/mol
LogP0.24
Rot. Bonds8

About N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide

N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 114137559) has the molecular formula C11H27N3O2S and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID114137559
Molecular FormulaC11H27N3O2S
Molecular Weight265.42 g/mol
Exact Mass265.18
IUPAC NameN-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NCC(C)N(C)C
InChIInChI=1S/C11H27N3O2S/c1-9(2)12-8-11(4)17(15,16)13-7-10(3)14(5)6/h9-13H,7-8H2,1-6H3
InChIKeyFMZQHRGRNHFJNO-UHFFFAOYSA-N
XLogP0.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)propyl]-1-(ethylamino)propane-2-sulfonamide
CID 106017341
N-[2-(dimethylamino)propyl]propane-2-sulfonamide
CID 61357181
N-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106064773
N-(3-methylbutyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106059116
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106087102
N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106019710
N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106032073
N-[2-(dimethylamino)propyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114137556
1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide
CID 106295870
N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106029944
N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106079958
N-(5-methylsulfanylpentyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114142684

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide (CID 114137559) is N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide is CC(C)NCC(C)S(=O)(=O)NCC(C)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is FMZQHRGRNHFJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O2S/c1-9(2)12-8-11(4)17(15,16)13-7-10(3)14(5)6/h9-13H,7-8H2,1-6H3.
What are the key properties of N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide?
N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 265.42 g/mol, XLogP of 0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 114137559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).