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

C13H27N3O4S — CID 114465117

IUPACpropan-2-yl N-[piperidin-4-ylmethyl(propyl)sulfamoyl]carbamate
SMILESCCCN(CC1CCNCC1)S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C13H27N3O4S/c1-4-9-16(10-12-5-7-14-8-6-12)21(18,19)15-13(17)20-11(2)3/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyFGWRQCKPEXUAQT-UHFFFAOYSA-N
MW321.44 g/mol
LogP1.08
Rot. Bonds7

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

propan-2-yl N-[piperidin-4-ylmethyl(propyl)sulfamoyl]carbamate (PubChem CID 114465117) has the molecular formula C13H27N3O4S and a molecular weight of 321.44 g/mol. Its IUPAC name is propan-2-yl N-[piperidin-4-ylmethyl(propyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[piperidin-4-ylmethyl(propyl)sulfamoyl]carbamate
PubChem CID114465117
Molecular FormulaC13H27N3O4S
Molecular Weight321.44 g/mol
Exact Mass321.17
IUPAC Namepropan-2-yl N-[piperidin-4-ylmethyl(propyl)sulfamoyl]carbamate
SMILESCCCN(CC1CCNCC1)S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C13H27N3O4S/c1-4-9-16(10-12-5-7-14-8-6-12)21(18,19)15-13(17)20-11(2)3/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyFGWRQCKPEXUAQT-UHFFFAOYSA-N
XLogP1.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 51.08
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-ylmethyl(propyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[piperidin-4-ylmethyl(propyl)sulfamoyl]carbamate (CID 114465117) is propan-2-yl N-[piperidin-4-ylmethyl(propyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[piperidin-4-ylmethyl(propyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[piperidin-4-ylmethyl(propyl)sulfamoyl]carbamate is CCCN(CC1CCNCC1)S(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[piperidin-4-ylmethyl(propyl)sulfamoyl]carbamate?
The InChIKey is FGWRQCKPEXUAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4S/c1-4-9-16(10-12-5-7-14-8-6-12)21(18,19)15-13(17)20-11(2)3/h11-12,14H,4-10H2,1-3H3,(H,15,17).
What are the key properties of propan-2-yl N-[piperidin-4-ylmethyl(propyl)sulfamoyl]carbamate?
propan-2-yl N-[piperidin-4-ylmethyl(propyl)sulfamoyl]carbamate has a molecular weight of 321.44 g/mol, XLogP of 1.08, 7 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-ylmethyl(propyl)sulfamoyl]carbamate is sourced from PubChem (CID 114465117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).