N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide

C8H18F2N2O3S — CID 106091903

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C8H18F2N2O3S/c1-11-3-2-6-16(13,14)12-4-5-15-7-8(9)10/h8,11-12H,2-7H2,1H3
InChIKeyNNBMVKCCUXNAJR-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.20
Rot. Bonds10

About N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide

N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide (PubChem CID 106091903) has the molecular formula C8H18F2N2O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide
PubChem CID106091903
Molecular FormulaC8H18F2N2O3S
Molecular Weight260.31 g/mol
Exact Mass260.10
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C8H18F2N2O3S/c1-11-3-2-6-16(13,14)12-4-5-15-7-8(9)10/h8,11-12H,2-7H2,1H3
InChIKeyNNBMVKCCUXNAJR-UHFFFAOYSA-N
XLogP-0.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.20
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-[2-(2,2-difluoroethoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106091842
2-(2,2-difluoroethoxy)-N-methylethanamine
CID 58684435
N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114140768
N-[2-(2-methylpropoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106085310
2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide
CID 63245767
2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide
CID 107652526
N-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide
CID 106050688
3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide
CID 114141365
3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide
CID 106018630
N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide
CID 116815923
N-[2-(diethylamino)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106034847
4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide
CID 71905535

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide (CID 106091903) is N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide is CNCCCS(=O)(=O)NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide?
The InChIKey is NNBMVKCCUXNAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2O3S/c1-11-3-2-6-16(13,14)12-4-5-15-7-8(9)10/h8,11-12H,2-7H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide?
N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide has a molecular weight of 260.31 g/mol, XLogP of -0.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide is sourced from PubChem (CID 106091903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).