[amino(sulfosulfanyl)methyl]cyclopentane

C6H13NO3S2 — CID 21127260

IUPAC[amino(sulfosulfanyl)methyl]cyclopentane
SMILESNC(SS(=O)(=O)O)C1CCCC1
InChIInChI=1S/C6H13NO3S2/c7-6(11-12(8,9)10)5-3-1-2-4-5/h5-6H,1-4,7H2,(H,8,9,10)
InChIKeyZTUXZCPWAJPKAO-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.00
Rot. Bonds3

About [amino(sulfosulfanyl)methyl]cyclopentane

[amino(sulfosulfanyl)methyl]cyclopentane (PubChem CID 21127260) has the molecular formula C6H13NO3S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is [amino(sulfosulfanyl)methyl]cyclopentane.

Molecular Properties

Compound Name[amino(sulfosulfanyl)methyl]cyclopentane
PubChem CID21127260
Molecular FormulaC6H13NO3S2
Molecular Weight211.31 g/mol
Exact Mass211.03
IUPAC Name[amino(sulfosulfanyl)methyl]cyclopentane
SMILESNC(SS(=O)(=O)O)C1CCCC1
InChIInChI=1S/C6H13NO3S2/c7-6(11-12(8,9)10)5-3-1-2-4-5/h5-6H,1-4,7H2,(H,8,9,10)
InChIKeyZTUXZCPWAJPKAO-UHFFFAOYSA-N
XLogP1.00
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

cyclohexylmethanedisulfonic acid
CID 151464619
cyclohexyl(hydroxy)methanesulfonic acid
CID 24965327
(2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
CID 11514107
alpha-Hydroxy-cyclohexanemethanesulfonic acid sodium salt
CID 71748844
(3S)-3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid
CID 11630117
(3S)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11579592
cyclohexyl(silyl)methanamine
CID 174790563
cyclohexyl(ethylsulfonyl)methanamine
CID 54085731
2-cycloheptyl-2-hydroxyethanesulfonic acid
CID 115033560
[(1S)-1-cyclohexylethyl] hydrogen sulfate
CID 101191225
2-cyclopentyl-2-hydroxyethanesulfonamide
CID 115019545
(2R,3S)-2,3-diamino-4-cyclohexylbutane-1-sulfonic acid
CID 154318738

Frequently Asked Questions

What is the IUPAC name of [amino(sulfosulfanyl)methyl]cyclopentane?
The IUPAC name of [amino(sulfosulfanyl)methyl]cyclopentane (CID 21127260) is [amino(sulfosulfanyl)methyl]cyclopentane.
What is the SMILES notation for [amino(sulfosulfanyl)methyl]cyclopentane?
The canonical SMILES for [amino(sulfosulfanyl)methyl]cyclopentane is NC(SS(=O)(=O)O)C1CCCC1.
What is the InChIKey of [amino(sulfosulfanyl)methyl]cyclopentane?
The InChIKey is ZTUXZCPWAJPKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S2/c7-6(11-12(8,9)10)5-3-1-2-4-5/h5-6H,1-4,7H2,(H,8,9,10).
What are the key properties of [amino(sulfosulfanyl)methyl]cyclopentane?
[amino(sulfosulfanyl)methyl]cyclopentane has a molecular weight of 211.31 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(sulfosulfanyl)methyl]cyclopentane is sourced from PubChem (CID 21127260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).