(1-morpholin-4-ylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone

C14H25N3O4S — CID 4575044

IUPAC(1-morpholin-4-ylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCCC1
InChIInChI=1S/C14H25N3O4S/c18-14(15-5-1-2-6-15)13-3-7-16(8-4-13)22(19,20)17-9-11-21-12-10-17/h13H,1-12H2
InChIKeyTWAZFLSEGJBBMP-UHFFFAOYSA-N
MW331.44 g/mol
LogP-0.10
Rot. Bonds3

About (1-morpholin-4-ylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone

(1-morpholin-4-ylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 4575044) has the molecular formula C14H25N3O4S and a molecular weight of 331.44 g/mol. Its IUPAC name is (1-morpholin-4-ylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-morpholin-4-ylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID4575044
Molecular FormulaC14H25N3O4S
Molecular Weight331.44 g/mol
Exact Mass331.16
IUPAC Name(1-morpholin-4-ylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCCC1
InChIInChI=1S/C14H25N3O4S/c18-14(15-5-1-2-6-15)13-3-7-16(8-4-13)22(19,20)17-9-11-21-12-10-17/h13H,1-12H2
InChIKeyTWAZFLSEGJBBMP-UHFFFAOYSA-N
XLogP-0.10
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-ylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-morpholin-4-ylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone (CID 4575044) is (1-morpholin-4-ylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-morpholin-4-ylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-morpholin-4-ylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone is O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCCC1.
What is the InChIKey of (1-morpholin-4-ylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is TWAZFLSEGJBBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S/c18-14(15-5-1-2-6-15)13-3-7-16(8-4-13)22(19,20)17-9-11-21-12-10-17/h13H,1-12H2.
What are the key properties of (1-morpholin-4-ylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone?
(1-morpholin-4-ylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 331.44 g/mol, XLogP of -0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-ylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 4575044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).