cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-sulfonic acid

C10H19NO5S — CID 178194612

IUPACcis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-sulfonic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CCC[C@H]1S(=O)(=O)O
InChIInChI=1S/C10H19NO5S/c1-10(2,3)16-9(12)11-7-5-4-6-8(7)17(13,14)15/h7-8H,4-6H2,1-3H3,(H,11,12)(H,13,14,15)/t7-,8+/m0/s1
InChIKeyFDTKAHAQFKPMEQ-JGVFFNPUSA-N
MW265.33 g/mol
LogP1.32
Rot. Bonds2

About cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-sulfonic acid

cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-sulfonic acid (PubChem CID 178194612) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-sulfonic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-sulfonic acid
PubChem CID178194612
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Namecis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-sulfonic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CCC[C@H]1S(=O)(=O)O
InChIInChI=1S/C10H19NO5S/c1-10(2,3)16-9(12)11-7-5-4-6-8(7)17(13,14)15/h7-8H,4-6H2,1-3H3,(H,11,12)(H,13,14,15)/t7-,8+/m0/s1
InChIKeyFDTKAHAQFKPMEQ-JGVFFNPUSA-N
XLogP1.32
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[(1S,2S)-2-formylcyclopentyl]carbamate
CID 96612570
tert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate
CID 107239046
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate
CID 129395964
trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 11287994
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl N-[(2S)-2-(dimethylamino)cyclopentyl]carbamate
CID 143692343

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-sulfonic acid?
The IUPAC name of cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-sulfonic acid (CID 178194612) is cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-sulfonic acid.
What is the SMILES notation for cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-sulfonic acid?
The canonical SMILES for cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-sulfonic acid is CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1S(=O)(=O)O.
What is the InChIKey of cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-sulfonic acid?
The InChIKey is FDTKAHAQFKPMEQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-10(2,3)16-9(12)11-7-5-4-6-8(7)17(13,14)15/h7-8H,4-6H2,1-3H3,(H,11,12)(H,13,14,15)/t7-,8+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-sulfonic acid?
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-sulfonic acid has a molecular weight of 265.33 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-sulfonic acid is sourced from PubChem (CID 178194612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).