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

C12H25N3O4S — CID 114465115

IUPACpropan-2-yl N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]carbamate
SMILESCCN(CC1CCNCC1)S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C12H25N3O4S/c1-4-15(9-11-5-7-13-8-6-11)20(17,18)14-12(16)19-10(2)3/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyCVTLGHUIIFZRTI-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.69
Rot. Bonds6

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

propan-2-yl N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]carbamate (PubChem CID 114465115) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is propan-2-yl N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]carbamate
PubChem CID114465115
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Namepropan-2-yl N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]carbamate
SMILESCCN(CC1CCNCC1)S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C12H25N3O4S/c1-4-15(9-11-5-7-13-8-6-11)20(17,18)14-12(16)19-10(2)3/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyCVTLGHUIIFZRTI-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
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-[ethyl(piperidin-4-ylmethyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]carbamate (CID 114465115) is propan-2-yl N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]carbamate is CCN(CC1CCNCC1)S(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]carbamate?
The InChIKey is CVTLGHUIIFZRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-4-15(9-11-5-7-13-8-6-11)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-[ethyl(piperidin-4-ylmethyl)sulfamoyl]carbamate?
propan-2-yl N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]carbamate has a molecular weight of 307.42 g/mol, XLogP of 0.69, 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-[ethyl(piperidin-4-ylmethyl)sulfamoyl]carbamate is sourced from PubChem (CID 114465115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).