2-[azepan-1-ylsulfonyl(piperidin-3-yl)amino]acetamide

C13H26N4O3S — CID 60801221

IUPAC2-[azepan-1-ylsulfonyl(piperidin-3-yl)amino]acetamide
SMILESNC(=O)CN(C1CCCNC1)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C13H26N4O3S/c14-13(18)11-17(12-6-5-7-15-10-12)21(19,20)16-8-3-1-2-4-9-16/h12,15H,1-11H2,(H2,14,18)
InChIKeyRKMJVMDTZYUBAI-UHFFFAOYSA-N
MW318.44 g/mol
LogP-0.35
Rot. Bonds5

About 2-[azepan-1-ylsulfonyl(piperidin-3-yl)amino]acetamide

2-[azepan-1-ylsulfonyl(piperidin-3-yl)amino]acetamide (PubChem CID 60801221) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-[azepan-1-ylsulfonyl(piperidin-3-yl)amino]acetamide.

Molecular Properties

Compound Name2-[azepan-1-ylsulfonyl(piperidin-3-yl)amino]acetamide
PubChem CID60801221
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC Name2-[azepan-1-ylsulfonyl(piperidin-3-yl)amino]acetamide
SMILESNC(=O)CN(C1CCCNC1)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C13H26N4O3S/c14-13(18)11-17(12-6-5-7-15-10-12)21(19,20)16-8-3-1-2-4-9-16/h12,15H,1-11H2,(H2,14,18)
InChIKeyRKMJVMDTZYUBAI-UHFFFAOYSA-N
XLogP-0.35
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[azepan-1-ylsulfonyl(piperidin-4-yl)amino]acetamide
CID 60801061
N-ethyl-N-piperidin-3-ylpyrrolidine-1-sulfonamide
CID 60806699
ethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate
CID 114461853
2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 77044834
2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide
CID 60800520
2-[cyclopentyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid
CID 54925873
N-(2-amino-2-oxoethyl)-N-piperidin-3-ylcyclopentanecarboxamide
CID 60801225
2-[(2-methylpyrazol-3-yl)sulfonyl-piperidin-3-ylamino]acetamide
CID 104709486
2-[acetyl(piperidin-3-yl)amino]acetamide
CID 60802262
methyl N-(2-amino-2-oxoethyl)-N-piperidin-3-ylcarbamate
CID 60801559
2-[cyclopentyl(pyrrolidin-3-ylsulfonyl)amino]acetamide
CID 65420484
2-[oxolan-2-ylmethylsulfonyl(pyrrolidin-3-yl)amino]acetamide
CID 63246610

Frequently Asked Questions

What is the IUPAC name of 2-[azepan-1-ylsulfonyl(piperidin-3-yl)amino]acetamide?
The IUPAC name of 2-[azepan-1-ylsulfonyl(piperidin-3-yl)amino]acetamide (CID 60801221) is 2-[azepan-1-ylsulfonyl(piperidin-3-yl)amino]acetamide.
What is the SMILES notation for 2-[azepan-1-ylsulfonyl(piperidin-3-yl)amino]acetamide?
The canonical SMILES for 2-[azepan-1-ylsulfonyl(piperidin-3-yl)amino]acetamide is NC(=O)CN(C1CCCNC1)S(=O)(=O)N1CCCCCC1.
What is the InChIKey of 2-[azepan-1-ylsulfonyl(piperidin-3-yl)amino]acetamide?
The InChIKey is RKMJVMDTZYUBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S/c14-13(18)11-17(12-6-5-7-15-10-12)21(19,20)16-8-3-1-2-4-9-16/h12,15H,1-11H2,(H2,14,18).
What are the key properties of 2-[azepan-1-ylsulfonyl(piperidin-3-yl)amino]acetamide?
2-[azepan-1-ylsulfonyl(piperidin-3-yl)amino]acetamide has a molecular weight of 318.44 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azepan-1-ylsulfonyl(piperidin-3-yl)amino]acetamide is sourced from PubChem (CID 60801221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).