tert-butyl N-(5-sulfamoylpentyl)carbamate

C10H22N2O4S — CID 166997835

IUPACtert-butyl N-(5-sulfamoylpentyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCCS(N)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-10(2,3)16-9(13)12-7-5-4-6-8-17(11,14)15/h4-8H2,1-3H3,(H,12,13)(H2,11,14,15)
InChIKeyBSIXEZKZEFFBPM-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.97
Rot. Bonds6

About tert-butyl N-(5-sulfamoylpentyl)carbamate

tert-butyl N-(5-sulfamoylpentyl)carbamate (PubChem CID 166997835) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is tert-butyl N-(5-sulfamoylpentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-sulfamoylpentyl)carbamate
PubChem CID166997835
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Nametert-butyl N-(5-sulfamoylpentyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCCS(N)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-10(2,3)16-9(13)12-7-5-4-6-8-17(11,14)15/h4-8H2,1-3H3,(H,12,13)(H2,11,14,15)
InChIKeyBSIXEZKZEFFBPM-UHFFFAOYSA-N
XLogP0.97
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(10-methoxysulfonothioyldecyl)carbamate
CID 5052278
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium
CID 7019265
tert-butyl N-nonylcarbamate;ethane
CID 168941348
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanesulfonic acid;hydrochloride
CID 165179141
tert-butyl N-(12-bromododecyl)carbamate
CID 4206147
tert-butyl N-[2-(sulfamoylamino)ethyl]carbamate
CID 86657941
tert-butyl N-[3-methyl-2-[(3-sulfamoylpropylamino)methyl]butyl]carbamate
CID 107442111
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
methyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]azanide
CID 54708081

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-sulfamoylpentyl)carbamate?
The IUPAC name of tert-butyl N-(5-sulfamoylpentyl)carbamate (CID 166997835) is tert-butyl N-(5-sulfamoylpentyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-sulfamoylpentyl)carbamate?
The canonical SMILES for tert-butyl N-(5-sulfamoylpentyl)carbamate is CC(C)(C)OC(=O)NCCCCCS(N)(=O)=O.
What is the InChIKey of tert-butyl N-(5-sulfamoylpentyl)carbamate?
The InChIKey is BSIXEZKZEFFBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-10(2,3)16-9(13)12-7-5-4-6-8-17(11,14)15/h4-8H2,1-3H3,(H,12,13)(H2,11,14,15).
What are the key properties of tert-butyl N-(5-sulfamoylpentyl)carbamate?
tert-butyl N-(5-sulfamoylpentyl)carbamate has a molecular weight of 266.36 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-sulfamoylpentyl)carbamate is sourced from PubChem (CID 166997835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).