N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide

C11H26N2O2S — CID 103520785

IUPACN-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCCCCCN
InChIInChI=1S/C11H26N2O2S/c1-11(2,3)7-10-16(14,15)13-9-6-4-5-8-12/h13H,4-10,12H2,1-3H3
InChIKeyGIRXYZOBHHAGNE-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.47
Rot. Bonds8

About N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide

N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103520785) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103520785
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCCCCCN
InChIInChI=1S/C11H26N2O2S/c1-11(2,3)7-10-16(14,15)13-9-6-4-5-8-12/h13H,4-10,12H2,1-3H3
InChIKeyGIRXYZOBHHAGNE-UHFFFAOYSA-N
XLogP1.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide
CID 103828845
N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide
CID 114171594
N-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 106141530
3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide
CID 103698152
N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide
CID 106135546
N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide
CID 100655614
18,18-dimethylnonadecan-1-amine
CID 53249240
12,12-dimethyltridecan-1-amine
CID 87103604
18,18-dimethylnonadecan-1-amine;hydrofluoride
CID 173042311
N-(5,5-dimethylhexyl)methanesulfonamide
CID 20706690
N'-(methylsulfamoyl)pentane-1,5-diamine
CID 114804066
CID 160729242
CID 160729242

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide (CID 103520785) is N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NCCCCCN.
What is the InChIKey of N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is GIRXYZOBHHAGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-11(2,3)7-10-16(14,15)13-9-6-4-5-8-12/h13H,4-10,12H2,1-3H3.
What are the key properties of N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide?
N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103520785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).