N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-fluoropropane-1-sulfonamide

C11H25FN2O2S — CID 75511416

IUPACN-[1-(dimethylamino)-4-methylpentan-2-yl]-3-fluoropropane-1-sulfonamide
SMILESCC(C)CC(CN(C)C)NS(=O)(=O)CCCF
InChIInChI=1S/C11H25FN2O2S/c1-10(2)8-11(9-14(3)4)13-17(15,16)7-5-6-12/h10-11,13H,5-9H2,1-4H3
InChIKeyQAFNBIKXEOQRLQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.24
Rot. Bonds9

About N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-fluoropropane-1-sulfonamide

N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-fluoropropane-1-sulfonamide (PubChem CID 75511416) has the molecular formula C11H25FN2O2S and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-3-fluoropropane-1-sulfonamide
PubChem CID75511416
Molecular FormulaC11H25FN2O2S
Molecular Weight268.40 g/mol
Exact Mass268.16
IUPAC NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-3-fluoropropane-1-sulfonamide
SMILESCC(C)CC(CN(C)C)NS(=O)(=O)CCCF
InChIInChI=1S/C11H25FN2O2S/c1-10(2)8-11(9-14(3)4)13-17(15,16)7-5-6-12/h10-11,13H,5-9H2,1-4H3
InChIKeyQAFNBIKXEOQRLQ-UHFFFAOYSA-N
XLogP1.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-fluoropropane-1-sulfonamide (CID 75511416) is N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-fluoropropane-1-sulfonamide is CC(C)CC(CN(C)C)NS(=O)(=O)CCCF.
What is the InChIKey of N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-fluoropropane-1-sulfonamide?
The InChIKey is QAFNBIKXEOQRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25FN2O2S/c1-10(2)8-11(9-14(3)4)13-17(15,16)7-5-6-12/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-fluoropropane-1-sulfonamide?
N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-fluoropropane-1-sulfonamide has a molecular weight of 268.40 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 75511416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).