N-[1-(3-fluoropropylamino)-2-methylpropan-2-yl]methanesulfonamide

C8H19FN2O2S — CID 81106340

IUPACN-[1-(3-fluoropropylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCCCF)NS(C)(=O)=O
InChIInChI=1S/C8H19FN2O2S/c1-8(2,11-14(3,12)13)7-10-6-4-5-9/h10-11H,4-7H2,1-3H3
InChIKeyNDBBZXMYFJJAKC-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.26
Rot. Bonds7

About N-[1-(3-fluoropropylamino)-2-methylpropan-2-yl]methanesulfonamide

N-[1-(3-fluoropropylamino)-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 81106340) has the molecular formula C8H19FN2O2S and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[1-(3-fluoropropylamino)-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-fluoropropylamino)-2-methylpropan-2-yl]methanesulfonamide
PubChem CID81106340
Molecular FormulaC8H19FN2O2S
Molecular Weight226.32 g/mol
Exact Mass226.12
IUPAC NameN-[1-(3-fluoropropylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCCCF)NS(C)(=O)=O
InChIInChI=1S/C8H19FN2O2S/c1-8(2,11-14(3,12)13)7-10-6-4-5-9/h10-11H,4-7H2,1-3H3
InChIKeyNDBBZXMYFJJAKC-UHFFFAOYSA-N
XLogP0.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.26
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoropropylamino)-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(3-fluoropropylamino)-2-methylpropan-2-yl]methanesulfonamide (CID 81106340) is N-[1-(3-fluoropropylamino)-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3-fluoropropylamino)-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3-fluoropropylamino)-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNCCCF)NS(C)(=O)=O.
What is the InChIKey of N-[1-(3-fluoropropylamino)-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is NDBBZXMYFJJAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19FN2O2S/c1-8(2,11-14(3,12)13)7-10-6-4-5-9/h10-11H,4-7H2,1-3H3.
What are the key properties of N-[1-(3-fluoropropylamino)-2-methylpropan-2-yl]methanesulfonamide?
N-[1-(3-fluoropropylamino)-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 226.32 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoropropylamino)-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 81106340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).