2-[4-(azepan-1-ylsulfonylamino)piperidin-1-yl]-N-methylacetamide

C14H28N4O3S — CID 34268549

IUPAC2-[4-(azepan-1-ylsulfonylamino)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NS(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C14H28N4O3S/c1-15-14(19)12-17-10-6-13(7-11-17)16-22(20,21)18-8-4-2-3-5-9-18/h13,16H,2-12H2,1H3,(H,15,19)
InChIKeyHZBYHNGYCQFDQR-UHFFFAOYSA-N
MW332.47 g/mol
LogP-0.09
Rot. Bonds5

About 2-[4-(azepan-1-ylsulfonylamino)piperidin-1-yl]-N-methylacetamide

2-[4-(azepan-1-ylsulfonylamino)piperidin-1-yl]-N-methylacetamide (PubChem CID 34268549) has the molecular formula C14H28N4O3S and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-[4-(azepan-1-ylsulfonylamino)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(azepan-1-ylsulfonylamino)piperidin-1-yl]-N-methylacetamide
PubChem CID34268549
Molecular FormulaC14H28N4O3S
Molecular Weight332.47 g/mol
Exact Mass332.19
IUPAC Name2-[4-(azepan-1-ylsulfonylamino)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NS(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C14H28N4O3S/c1-15-14(19)12-17-10-6-13(7-11-17)16-22(20,21)18-8-4-2-3-5-9-18/h13,16H,2-12H2,1H3,(H,15,19)
InChIKeyHZBYHNGYCQFDQR-UHFFFAOYSA-N
XLogP-0.09
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepan-1-ylsulfonylamino)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(azepan-1-ylsulfonylamino)piperidin-1-yl]-N-methylacetamide (CID 34268549) is 2-[4-(azepan-1-ylsulfonylamino)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(azepan-1-ylsulfonylamino)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(azepan-1-ylsulfonylamino)piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NS(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of 2-[4-(azepan-1-ylsulfonylamino)piperidin-1-yl]-N-methylacetamide?
The InChIKey is HZBYHNGYCQFDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O3S/c1-15-14(19)12-17-10-6-13(7-11-17)16-22(20,21)18-8-4-2-3-5-9-18/h13,16H,2-12H2,1H3,(H,15,19).
What are the key properties of 2-[4-(azepan-1-ylsulfonylamino)piperidin-1-yl]-N-methylacetamide?
2-[4-(azepan-1-ylsulfonylamino)piperidin-1-yl]-N-methylacetamide has a molecular weight of 332.47 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepan-1-ylsulfonylamino)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 34268549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).