1-(2-methoxypropylsulfonyl)piperidin-4-amine

C9H20N2O3S — CID 120998704

IUPAC1-(2-methoxypropylsulfonyl)piperidin-4-amine
SMILESCOC(C)CS(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C9H20N2O3S/c1-8(14-2)7-15(12,13)11-5-3-9(10)4-6-11/h8-9H,3-7,10H2,1-2H3
InChIKeyISDSVLRGGZGDMM-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.23
Rot. Bonds4

About 1-(2-methoxypropylsulfonyl)piperidin-4-amine

1-(2-methoxypropylsulfonyl)piperidin-4-amine (PubChem CID 120998704) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(2-methoxypropylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methoxypropylsulfonyl)piperidin-4-amine
PubChem CID120998704
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name1-(2-methoxypropylsulfonyl)piperidin-4-amine
SMILESCOC(C)CS(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C9H20N2O3S/c1-8(14-2)7-15(12,13)11-5-3-9(10)4-6-11/h8-9H,3-7,10H2,1-2H3
InChIKeyISDSVLRGGZGDMM-UHFFFAOYSA-N
XLogP-0.23
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropylsulfonyl)piperidin-4-amine?
The IUPAC name of 1-(2-methoxypropylsulfonyl)piperidin-4-amine (CID 120998704) is 1-(2-methoxypropylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-methoxypropylsulfonyl)piperidin-4-amine?
The canonical SMILES for 1-(2-methoxypropylsulfonyl)piperidin-4-amine is COC(C)CS(=O)(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(2-methoxypropylsulfonyl)piperidin-4-amine?
The InChIKey is ISDSVLRGGZGDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8(14-2)7-15(12,13)11-5-3-9(10)4-6-11/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 1-(2-methoxypropylsulfonyl)piperidin-4-amine?
1-(2-methoxypropylsulfonyl)piperidin-4-amine has a molecular weight of 236.34 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 120998704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).