tert-butyl N-(3-sulfinooxycyclobutyl)carbamate

C9H17NO5S — CID 146249113

IUPACtert-butyl N-(3-sulfinooxycyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(OS(=O)O)C1
InChIInChI=1S/C9H17NO5S/c1-9(2,3)14-8(11)10-6-4-7(5-6)15-16(12)13/h6-7H,4-5H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyVKBTWBWKPDZTAD-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.20
Rot. Bonds3

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

tert-butyl N-(3-sulfinooxycyclobutyl)carbamate (PubChem CID 146249113) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is tert-butyl N-(3-sulfinooxycyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-sulfinooxycyclobutyl)carbamate
PubChem CID146249113
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Nametert-butyl N-(3-sulfinooxycyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(OS(=O)O)C1
InChIInChI=1S/C9H17NO5S/c1-9(2,3)14-8(11)10-6-4-7(5-6)15-16(12)13/h6-7H,4-5H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyVKBTWBWKPDZTAD-UHFFFAOYSA-N
XLogP1.20
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
CID 141204267
tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate
CID 163950000
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-(3,6-dihydroxycyclohept-4-en-1-yl)carbamate
CID 15768172
tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate
CID 154653441
tert-butyl N-[3-(3-hydroxypropoxy)cyclobutyl]carbamate
CID 146599452
tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate
CID 103082835
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate
CID 59470733
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-sulfinooxycyclobutyl)carbamate?
The IUPAC name of tert-butyl N-(3-sulfinooxycyclobutyl)carbamate (CID 146249113) is tert-butyl N-(3-sulfinooxycyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-sulfinooxycyclobutyl)carbamate?
The canonical SMILES for tert-butyl N-(3-sulfinooxycyclobutyl)carbamate is CC(C)(C)OC(=O)NC1CC(OS(=O)O)C1.
What is the InChIKey of tert-butyl N-(3-sulfinooxycyclobutyl)carbamate?
The InChIKey is VKBTWBWKPDZTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-9(2,3)14-8(11)10-6-4-7(5-6)15-16(12)13/h6-7H,4-5H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of tert-butyl N-(3-sulfinooxycyclobutyl)carbamate?
tert-butyl N-(3-sulfinooxycyclobutyl)carbamate has a molecular weight of 251.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-sulfinooxycyclobutyl)carbamate is sourced from PubChem (CID 146249113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).