N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide

C11H26N2O3S — CID 114171594

IUPACN-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCCCOCCN
InChIInChI=1S/C11H26N2O3S/c1-11(2,3)5-10-17(14,15)13-7-4-8-16-9-6-12/h13H,4-10,12H2,1-3H3
InChIKeyRZMPJZZCFSEMFZ-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.71
Rot. Bonds9

About N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide

N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide (PubChem CID 114171594) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide
PubChem CID114171594
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC NameN-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCCCOCCN
InChIInChI=1S/C11H26N2O3S/c1-11(2,3)5-10-17(14,15)13-7-4-8-16-9-6-12/h13H,4-10,12H2,1-3H3
InChIKeyRZMPJZZCFSEMFZ-UHFFFAOYSA-N
XLogP0.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785
2-amino-N-(3-propoxypropyl)ethanesulfonamide
CID 82940128
N-[2-(2-bromoethoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521791
N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 99802931
2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine
CID 58409020
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
3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide
CID 146352889
N-(3-propoxypropyl)-2-(propylamino)ethanesulfonamide
CID 106074238

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide (CID 114171594) is N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NCCCOCCN.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is RZMPJZZCFSEMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-11(2,3)5-10-17(14,15)13-7-4-8-16-9-6-12/h13H,4-10,12H2,1-3H3.
What are the key properties of N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide?
N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 114171594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).