tert-butyl N-(4-methylsulfinylbutyl)carbamate

C10H21NO3S — CID 176958656

IUPACtert-butyl N-(4-methylsulfinylbutyl)carbamate
SMILESCS(=O)CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3S/c1-10(2,3)14-9(12)11-7-5-6-8-15(4)13/h5-8H2,1-4H3,(H,11,12)
InChIKeyFAHBANWWXGNWMW-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.67
Rot. Bonds5

About tert-butyl N-(4-methylsulfinylbutyl)carbamate

tert-butyl N-(4-methylsulfinylbutyl)carbamate (PubChem CID 176958656) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is tert-butyl N-(4-methylsulfinylbutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methylsulfinylbutyl)carbamate
PubChem CID176958656
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Nametert-butyl N-(4-methylsulfinylbutyl)carbamate
SMILESCS(=O)CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3S/c1-10(2,3)14-9(12)11-7-5-6-8-15(4)13/h5-8H2,1-4H3,(H,11,12)
InChIKeyFAHBANWWXGNWMW-UHFFFAOYSA-N
XLogP1.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(2-methylsulfinylethylamino)propyl]carbamate
CID 115747869
3-[(2-methylpropan-2-yl)oxycarbonylamino]propane-1-sulfinate
CID 134183090
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[2-(3-methylsulfinylpropylamino)propyl]carbamate
CID 103391026
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium
CID 7019265
tert-butyl N-(12-bromododecyl)carbamate
CID 4206147
tert-butyl N-[4-[4-[bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl]carbamate
CID 170606638
tert-butyl N-nonylcarbamate;ethane
CID 168941348
tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
CID 68676140

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methylsulfinylbutyl)carbamate?
The IUPAC name of tert-butyl N-(4-methylsulfinylbutyl)carbamate (CID 176958656) is tert-butyl N-(4-methylsulfinylbutyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methylsulfinylbutyl)carbamate?
The canonical SMILES for tert-butyl N-(4-methylsulfinylbutyl)carbamate is CS(=O)CCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-methylsulfinylbutyl)carbamate?
The InChIKey is FAHBANWWXGNWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-10(2,3)14-9(12)11-7-5-6-8-15(4)13/h5-8H2,1-4H3,(H,11,12).
What are the key properties of tert-butyl N-(4-methylsulfinylbutyl)carbamate?
tert-butyl N-(4-methylsulfinylbutyl)carbamate has a molecular weight of 235.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methylsulfinylbutyl)carbamate is sourced from PubChem (CID 176958656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).