N-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide

C7H18N2O4S2 — CID 106125800

IUPACN-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide
SMILESCC(N)CCCNS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C7H18N2O4S2/c1-7(8)4-3-5-9-15(12,13)6-14(2,10)11/h7,9H,3-6,8H2,1-2H3
InChIKeyUFIBLRFANHPGKL-UHFFFAOYSA-N
MW258.36 g/mol
LogP-0.96
Rot. Bonds7

About N-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide

N-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide (PubChem CID 106125800) has the molecular formula C7H18N2O4S2 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide
PubChem CID106125800
Molecular FormulaC7H18N2O4S2
Molecular Weight258.36 g/mol
Exact Mass258.07
IUPAC NameN-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide
SMILESCC(N)CCCNS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C7H18N2O4S2/c1-7(8)4-3-5-9-15(12,13)6-14(2,10)11/h7,9H,3-6,8H2,1-2H3
InChIKeyUFIBLRFANHPGKL-UHFFFAOYSA-N
XLogP-0.96
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminopentyl)butane-1-sulfonamide
CID 106125942
N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106125756
N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide
CID 107323115
N'-hydroxy-4-(methylsulfonylmethylsulfonylamino)butanimidamide
CID 82842584
6-(methylsulfonylmethylsulfonylamino)hexanoic acid
CID 82839698
N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059418
N-(4-aminopentyl)benzenesulfonamide
CID 106125730
N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide
CID 100655614
N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
CID 79593799
N-(3-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119972475
N-(3-aminobutyl)-2-methylpentane-1-sulfonamide;hydrochloride
CID 119972606
N-[2-(ethylamino)ethyl]-1-methylsulfonylmethanesulfonamide
CID 82842362

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide (CID 106125800) is N-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide is CC(N)CCCNS(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of N-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide?
The InChIKey is UFIBLRFANHPGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O4S2/c1-7(8)4-3-5-9-15(12,13)6-14(2,10)11/h7,9H,3-6,8H2,1-2H3.
What are the key properties of N-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide?
N-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide has a molecular weight of 258.36 g/mol, XLogP of -0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 106125800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).