morpholin-4-yl N,N-bis(sulfanyl)carbamate

C5H10N2O3S2 — CID 87118002

IUPACmorpholin-4-yl N,N-bis(sulfanyl)carbamate
SMILESO=C(ON1CCOCC1)N(S)S
InChIInChI=1S/C5H10N2O3S2/c8-5(7(11)12)10-6-1-3-9-4-2-6/h11-12H,1-4H2
InChIKeyAKLXHALGOHNZKI-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.36
Rot. Bonds1

About morpholin-4-yl N,N-bis(sulfanyl)carbamate

morpholin-4-yl N,N-bis(sulfanyl)carbamate (PubChem CID 87118002) has the molecular formula C5H10N2O3S2 and a molecular weight of 210.28 g/mol. Its IUPAC name is morpholin-4-yl N,N-bis(sulfanyl)carbamate.

Molecular Properties

Compound Namemorpholin-4-yl N,N-bis(sulfanyl)carbamate
PubChem CID87118002
Molecular FormulaC5H10N2O3S2
Molecular Weight210.28 g/mol
Exact Mass210.01
IUPAC Namemorpholin-4-yl N,N-bis(sulfanyl)carbamate
SMILESO=C(ON1CCOCC1)N(S)S
InChIInChI=1S/C5H10N2O3S2/c8-5(7(11)12)10-6-1-3-9-4-2-6/h11-12H,1-4H2
InChIKeyAKLXHALGOHNZKI-UHFFFAOYSA-N
XLogP0.36
TPSA42.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl N,N-bis(sulfanyl)carbamate?
The IUPAC name of morpholin-4-yl N,N-bis(sulfanyl)carbamate (CID 87118002) is morpholin-4-yl N,N-bis(sulfanyl)carbamate.
What is the SMILES notation for morpholin-4-yl N,N-bis(sulfanyl)carbamate?
The canonical SMILES for morpholin-4-yl N,N-bis(sulfanyl)carbamate is O=C(ON1CCOCC1)N(S)S.
What is the InChIKey of morpholin-4-yl N,N-bis(sulfanyl)carbamate?
The InChIKey is AKLXHALGOHNZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3S2/c8-5(7(11)12)10-6-1-3-9-4-2-6/h11-12H,1-4H2.
What are the key properties of morpholin-4-yl N,N-bis(sulfanyl)carbamate?
morpholin-4-yl N,N-bis(sulfanyl)carbamate has a molecular weight of 210.28 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl N,N-bis(sulfanyl)carbamate is sourced from PubChem (CID 87118002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).