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

C10H21FN2O2S — CID 121357714

IUPACN-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(F)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21FN2O2S/c1-9(2)12-8-10(11)4-6-13(7-5-10)16(3,14)15/h9,12H,4-8H2,1-3H3
InChIKeyUAXHRCREAWMJKP-UHFFFAOYSA-N
MW252.35 g/mol
LogP0.75
Rot. Bonds4

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

N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine (PubChem CID 121357714) has the molecular formula C10H21FN2O2S and a molecular weight of 252.35 g/mol. Its IUPAC name is N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine
PubChem CID121357714
Molecular FormulaC10H21FN2O2S
Molecular Weight252.35 g/mol
Exact Mass252.13
IUPAC NameN-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(F)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21FN2O2S/c1-9(2)12-8-10(11)4-6-13(7-5-10)16(3,14)15/h9,12H,4-8H2,1-3H3
InChIKeyUAXHRCREAWMJKP-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine (CID 121357714) is N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine is CC(C)NCC1(F)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine?
The InChIKey is UAXHRCREAWMJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O2S/c1-9(2)12-8-10(11)4-6-13(7-5-10)16(3,14)15/h9,12H,4-8H2,1-3H3.
What are the key properties of N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine?
N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine has a molecular weight of 252.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 121357714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).