propan-2-yl N-[piperidin-4-yl(propyl)sulfamoyl]carbamate

C12H25N3O4S — CID 114464658

IUPACpropan-2-yl N-[piperidin-4-yl(propyl)sulfamoyl]carbamate
SMILESCCCN(C1CCNCC1)S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C12H25N3O4S/c1-4-9-15(11-5-7-13-8-6-11)20(17,18)14-12(16)19-10(2)3/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyLKHLLOILNOWOIW-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.83
Rot. Bonds6

About propan-2-yl N-[piperidin-4-yl(propyl)sulfamoyl]carbamate

propan-2-yl N-[piperidin-4-yl(propyl)sulfamoyl]carbamate (PubChem CID 114464658) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is propan-2-yl N-[piperidin-4-yl(propyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[piperidin-4-yl(propyl)sulfamoyl]carbamate
PubChem CID114464658
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Namepropan-2-yl N-[piperidin-4-yl(propyl)sulfamoyl]carbamate
SMILESCCCN(C1CCNCC1)S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C12H25N3O4S/c1-4-9-15(11-5-7-13-8-6-11)20(17,18)14-12(16)19-10(2)3/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyLKHLLOILNOWOIW-UHFFFAOYSA-N
XLogP0.83
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[piperidin-4-yl(propyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[piperidin-4-yl(propyl)sulfamoyl]carbamate (CID 114464658) is propan-2-yl N-[piperidin-4-yl(propyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[piperidin-4-yl(propyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[piperidin-4-yl(propyl)sulfamoyl]carbamate is CCCN(C1CCNCC1)S(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[piperidin-4-yl(propyl)sulfamoyl]carbamate?
The InChIKey is LKHLLOILNOWOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-4-9-15(11-5-7-13-8-6-11)20(17,18)14-12(16)19-10(2)3/h10-11,13H,4-9H2,1-3H3,(H,14,16).
What are the key properties of propan-2-yl N-[piperidin-4-yl(propyl)sulfamoyl]carbamate?
propan-2-yl N-[piperidin-4-yl(propyl)sulfamoyl]carbamate has a molecular weight of 307.42 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[piperidin-4-yl(propyl)sulfamoyl]carbamate is sourced from PubChem (CID 114464658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).