4-[[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]methyl]oxane-4-carboxamide

C13H25N3O4S — CID 94604812

IUPAC4-[[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]methyl]oxane-4-carboxamide
SMILESC[C@H]1CCCN(S(=O)(=O)NCC2(C(N)=O)CCOCC2)C1
InChIInChI=1S/C13H25N3O4S/c1-11-3-2-6-16(9-11)21(18,19)15-10-13(12(14)17)4-7-20-8-5-13/h11,15H,2-10H2,1H3,(H2,14,17)/t11-/m0/s1
InChIKeyPOBQEIXWCXTGNW-NSHDSACASA-N
MW319.43 g/mol
LogP-0.17
Rot. Bonds5

About 4-[[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]methyl]oxane-4-carboxamide

4-[[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]methyl]oxane-4-carboxamide (PubChem CID 94604812) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-[[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]methyl]oxane-4-carboxamide
PubChem CID94604812
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Name4-[[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]methyl]oxane-4-carboxamide
SMILESC[C@H]1CCCN(S(=O)(=O)NCC2(C(N)=O)CCOCC2)C1
InChIInChI=1S/C13H25N3O4S/c1-11-3-2-6-16(9-11)21(18,19)15-10-13(12(14)17)4-7-20-8-5-13/h11,15H,2-10H2,1H3,(H2,14,17)/t11-/m0/s1
InChIKeyPOBQEIXWCXTGNW-NSHDSACASA-N
XLogP-0.17
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]methyl]oxane-4-carboxamide (CID 94604812) is 4-[[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]methyl]oxane-4-carboxamide is C[C@H]1CCCN(S(=O)(=O)NCC2(C(N)=O)CCOCC2)C1.
What is the InChIKey of 4-[[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]methyl]oxane-4-carboxamide?
The InChIKey is POBQEIXWCXTGNW-NSHDSACASA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-11-3-2-6-16(9-11)21(18,19)15-10-13(12(14)17)4-7-20-8-5-13/h11,15H,2-10H2,1H3,(H2,14,17)/t11-/m0/s1.
What are the key properties of 4-[[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]methyl]oxane-4-carboxamide?
4-[[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]methyl]oxane-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]methyl]oxane-4-carboxamide is sourced from PubChem (CID 94604812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).