N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine

C10H21FN2O2S — CID 121357711

IUPACN-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CCN(S(C)(=O)=O)CC1F
InChIInChI=1S/C10H21FN2O2S/c1-8(2)12-6-9-4-5-13(7-10(9)11)16(3,14)15/h8-10,12H,4-7H2,1-3H3
InChIKeyLXLNVVVPXRJMBZ-UHFFFAOYSA-N
MW252.35 g/mol
LogP0.60
Rot. Bonds4

About N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine

N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine (PubChem CID 121357711) has the molecular formula C10H21FN2O2S and a molecular weight of 252.35 g/mol. Its IUPAC name is N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine
PubChem CID121357711
Molecular FormulaC10H21FN2O2S
Molecular Weight252.35 g/mol
Exact Mass252.13
IUPAC NameN-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CCN(S(C)(=O)=O)CC1F
InChIInChI=1S/C10H21FN2O2S/c1-8(2)12-6-9-4-5-13(7-10(9)11)16(3,14)15/h8-10,12H,4-7H2,1-3H3
InChIKeyLXLNVVVPXRJMBZ-UHFFFAOYSA-N
XLogP0.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine (CID 121357711) is N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine is CC(C)NCC1CCN(S(C)(=O)=O)CC1F.
What is the InChIKey of N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine?
The InChIKey is LXLNVVVPXRJMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O2S/c1-8(2)12-6-9-4-5-13(7-10(9)11)16(3,14)15/h8-10,12H,4-7H2,1-3H3.
What are the key properties of N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine?
N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine has a molecular weight of 252.35 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 121357711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).