N-tert-butyl-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)acetamide

C16H32N4O3S — CID 30668345

IUPACN-tert-butyl-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1CCCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H32N4O3S/c1-16(2,3)17-15(21)14-18-8-7-11-20(13-12-18)24(22,23)19-9-5-4-6-10-19/h4-14H2,1-3H3,(H,17,21)
InChIKeyDMRLDFSHVGPBPX-UHFFFAOYSA-N
MW360.52 g/mol
LogP0.64
Rot. Bonds4

About N-tert-butyl-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)acetamide

N-tert-butyl-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)acetamide (PubChem CID 30668345) has the molecular formula C16H32N4O3S and a molecular weight of 360.52 g/mol. Its IUPAC name is N-tert-butyl-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)acetamide
PubChem CID30668345
Molecular FormulaC16H32N4O3S
Molecular Weight360.52 g/mol
Exact Mass360.22
IUPAC NameN-tert-butyl-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1CCCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H32N4O3S/c1-16(2,3)17-15(21)14-18-8-7-11-20(13-12-18)24(22,23)19-9-5-4-6-10-19/h4-14H2,1-3H3,(H,17,21)
InChIKeyDMRLDFSHVGPBPX-UHFFFAOYSA-N
XLogP0.64
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)acetamide (CID 30668345) is N-tert-butyl-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)acetamide is CC(C)(C)NC(=O)CN1CCCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-tert-butyl-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is DMRLDFSHVGPBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O3S/c1-16(2,3)17-15(21)14-18-8-7-11-20(13-12-18)24(22,23)19-9-5-4-6-10-19/h4-14H2,1-3H3,(H,17,21).
What are the key properties of N-tert-butyl-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)acetamide?
N-tert-butyl-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 360.52 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 30668345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).