bis(sulfanyl)carbamic acid;piperidine

C6H14N2O2S2 — CID 174434998

IUPACbis(sulfanyl)carbamic acid;piperidine
SMILESC1CCNCC1.O=C(O)N(S)S
InChIInChI=1S/C5H11N.CH3NO2S2/c1-2-4-6-5-3-1;3-1(4)2(5)6/h6H,1-5H2;5-6H,(H,3,4)
InChIKeyNMGCGWPHWWZTJB-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.42
Rot. Bonds

About bis(sulfanyl)carbamic acid;piperidine

bis(sulfanyl)carbamic acid;piperidine (PubChem CID 174434998) has the molecular formula C6H14N2O2S2 and a molecular weight of 210.32 g/mol. Its IUPAC name is bis(sulfanyl)carbamic acid;piperidine.

Molecular Properties

Compound Namebis(sulfanyl)carbamic acid;piperidine
PubChem CID174434998
Molecular FormulaC6H14N2O2S2
Molecular Weight210.32 g/mol
Exact Mass210.05
IUPAC Namebis(sulfanyl)carbamic acid;piperidine
SMILESC1CCNCC1.O=C(O)N(S)S
InChIInChI=1S/C5H11N.CH3NO2S2/c1-2-4-6-5-3-1;3-1(4)2(5)6/h6H,1-5H2;5-6H,(H,3,4)
InChIKeyNMGCGWPHWWZTJB-UHFFFAOYSA-N
XLogP1.42
TPSA52.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(sulfanyl)carbamic acid;piperidine?
The IUPAC name of bis(sulfanyl)carbamic acid;piperidine (CID 174434998) is bis(sulfanyl)carbamic acid;piperidine.
What is the SMILES notation for bis(sulfanyl)carbamic acid;piperidine?
The canonical SMILES for bis(sulfanyl)carbamic acid;piperidine is C1CCNCC1.O=C(O)N(S)S.
What is the InChIKey of bis(sulfanyl)carbamic acid;piperidine?
The InChIKey is NMGCGWPHWWZTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.CH3NO2S2/c1-2-4-6-5-3-1;3-1(4)2(5)6/h6H,1-5H2;5-6H,(H,3,4).
What are the key properties of bis(sulfanyl)carbamic acid;piperidine?
bis(sulfanyl)carbamic acid;piperidine has a molecular weight of 210.32 g/mol, XLogP of 1.42, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(sulfanyl)carbamic acid;piperidine is sourced from PubChem (CID 174434998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).