N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide

C9H22N2O2S — CID 103828845

IUPACN-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCCCN
InChIInChI=1S/C9H22N2O2S/c1-9(2,3)5-8-14(12,13)11-7-4-6-10/h11H,4-8,10H2,1-3H3
InChIKeyWMNSSXOFMLTFLF-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.69
Rot. Bonds6

About N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide

N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103828845) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103828845
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCCCN
InChIInChI=1S/C9H22N2O2S/c1-9(2,3)5-8-14(12,13)11-7-4-6-10/h11H,4-8,10H2,1-3H3
InChIKeyWMNSSXOFMLTFLF-UHFFFAOYSA-N
XLogP0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.69
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-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785
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
2-(3,3-dimethylbutylsulfonylamino)acetamide
CID 103521045
N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide
CID 71848189
N-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide
CID 88877324
N-[2-(2-bromoethoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521791
N-(3-aminopropyl)methanesulfonamide
CID 18350602
N-(5,5-dimethylhexyl)methanesulfonamide
CID 20706690

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide (CID 103828845) is N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is WMNSSXOFMLTFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-9(2,3)5-8-14(12,13)11-7-4-6-10/h11H,4-8,10H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide?
N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103828845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).