N-[2-(diethylamino)propyl]butane-1-sulfonamide

C11H26N2O2S — CID 112502209

IUPACN-[2-(diethylamino)propyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(C)N(CC)CC
InChIInChI=1S/C11H26N2O2S/c1-5-8-9-16(14,15)12-10-11(4)13(6-2)7-3/h11-12H,5-10H2,1-4H3
InChIKeyKPIIDBWHCVAREV-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.44
Rot. Bonds9

About N-[2-(diethylamino)propyl]butane-1-sulfonamide

N-[2-(diethylamino)propyl]butane-1-sulfonamide (PubChem CID 112502209) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]butane-1-sulfonamide
PubChem CID112502209
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-[2-(diethylamino)propyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(C)N(CC)CC
InChIInChI=1S/C11H26N2O2S/c1-5-8-9-16(14,15)12-10-11(4)13(6-2)7-3/h11-12H,5-10H2,1-4H3
InChIKeyKPIIDBWHCVAREV-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)hexadecane-1-sulfonamide
CID 22976871
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide
CID 60568297
3-(butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
CID 76952622
5-(butylsulfonylamino)-4-methylpentanoic acid
CID 82016892
N-(3-methyl-2-pyrrolidin-1-ylbutyl)butane-1-sulfonamide
CID 110403035
N-(3-methyl-2-piperidin-1-ylbutyl)butane-1-sulfonamide
CID 110402901
N-[2-(dimethylamino)propyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114137556
N-decylbutane-1-sulfonamide
CID 19681427
N-(4-aminopentyl)butane-1-sulfonamide
CID 106125942
N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110620333
N-(2-ethylhexyl)dodecane-1-sulfonamide
CID 20789895
N-[2-(methylamino)propyl]propane-1-sulfonamide
CID 103512489

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(diethylamino)propyl]butane-1-sulfonamide (CID 112502209) is N-[2-(diethylamino)propyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(diethylamino)propyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC(C)N(CC)CC.
What is the InChIKey of N-[2-(diethylamino)propyl]butane-1-sulfonamide?
The InChIKey is KPIIDBWHCVAREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-5-8-9-16(14,15)12-10-11(4)13(6-2)7-3/h11-12H,5-10H2,1-4H3.
What are the key properties of N-[2-(diethylamino)propyl]butane-1-sulfonamide?
N-[2-(diethylamino)propyl]butane-1-sulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]butane-1-sulfonamide is sourced from PubChem (CID 112502209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).