tert-butyl N-(3-sulfanylcyclobutyl)carbamate

C9H17NO2S — CID 134473449

IUPACtert-butyl N-(3-sulfanylcyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(S)C1
InChIInChI=1S/C9H17NO2S/c1-9(2,3)12-8(11)10-6-4-7(13)5-6/h6-7,13H,4-5H2,1-3H3,(H,10,11)
InChIKeyJVBAHLPZUJJMHO-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.97
Rot. Bonds1

About tert-butyl N-(3-sulfanylcyclobutyl)carbamate

tert-butyl N-(3-sulfanylcyclobutyl)carbamate (PubChem CID 134473449) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is tert-butyl N-(3-sulfanylcyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-sulfanylcyclobutyl)carbamate
PubChem CID134473449
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Nametert-butyl N-(3-sulfanylcyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(S)C1
InChIInChI=1S/C9H17NO2S/c1-9(2,3)12-8(11)10-6-4-7(13)5-6/h6-7,13H,4-5H2,1-3H3,(H,10,11)
InChIKeyJVBAHLPZUJJMHO-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate
CID 163950000
tert-butyl N-(3,6-dihydroxycyclohept-4-en-1-yl)carbamate
CID 15768172
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496
[(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
CID 141204267
tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride
CID 126812095
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate
CID 68605714
tert-butyl N-[3-(3-hydroxypropoxy)cyclobutyl]carbamate
CID 146599452
tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate
CID 154653441
tert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate
CID 126970193

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-sulfanylcyclobutyl)carbamate?
The IUPAC name of tert-butyl N-(3-sulfanylcyclobutyl)carbamate (CID 134473449) is tert-butyl N-(3-sulfanylcyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-sulfanylcyclobutyl)carbamate?
The canonical SMILES for tert-butyl N-(3-sulfanylcyclobutyl)carbamate is CC(C)(C)OC(=O)NC1CC(S)C1.
What is the InChIKey of tert-butyl N-(3-sulfanylcyclobutyl)carbamate?
The InChIKey is JVBAHLPZUJJMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-9(2,3)12-8(11)10-6-4-7(13)5-6/h6-7,13H,4-5H2,1-3H3,(H,10,11).
What are the key properties of tert-butyl N-(3-sulfanylcyclobutyl)carbamate?
tert-butyl N-(3-sulfanylcyclobutyl)carbamate has a molecular weight of 203.31 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-sulfanylcyclobutyl)carbamate is sourced from PubChem (CID 134473449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).