sodium;1-aminoethyl N,N-bis(sulfanyl)carbamate;hydride

C3H9N2NaO2S2 — CID 173197666

IUPACsodium;1-aminoethyl N,N-bis(sulfanyl)carbamate;hydride
SMILESCC(N)OC(=O)N(S)S.[H-].[Na+]
InChIInChI=1S/C3H8N2O2S2.Na.H/c1-2(4)7-3(6)5(8)9;;/h2,8-9H,4H2,1H3;;/q;+1;-1
InChIKeyMATFEAPECLUZDS-UHFFFAOYSA-N
MW192.24 g/mol
LogP-2.46
Rot. Bonds1

About sodium;1-aminoethyl N,N-bis(sulfanyl)carbamate;hydride

sodium;1-aminoethyl N,N-bis(sulfanyl)carbamate;hydride (PubChem CID 173197666) has the molecular formula C3H9N2NaO2S2 and a molecular weight of 192.24 g/mol. Its IUPAC name is sodium;1-aminoethyl N,N-bis(sulfanyl)carbamate;hydride.

Molecular Properties

Compound Namesodium;1-aminoethyl N,N-bis(sulfanyl)carbamate;hydride
PubChem CID173197666
Molecular FormulaC3H9N2NaO2S2
Molecular Weight192.24 g/mol
Exact Mass192.00
IUPAC Namesodium;1-aminoethyl N,N-bis(sulfanyl)carbamate;hydride
SMILESCC(N)OC(=O)N(S)S.[H-].[Na+]
InChIInChI=1S/C3H8N2O2S2.Na.H/c1-2(4)7-3(6)5(8)9;;/h2,8-9H,4H2,1H3;;/q;+1;-1
InChIKeyMATFEAPECLUZDS-UHFFFAOYSA-N
XLogP-2.46
TPSA55.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-2.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

bis(1-aminoethyl) pentanedioate
CID 155104048
trisodium;(2S)-2-aminopropanoic acid;hydride
CID 174824458
acetic acid;ethane-1,1-diamine
CID 157325550
calcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride
CID 173075158
CID 175156691
CID 175156691
calcium;2-aminopropanoic acid;azane;hydride
CID 173017649
1-aminoethyl 2,2,3,3,3-pentafluoropropanoate
CID 175224554
2-aminoethyl N,N-bis(sulfanyl)carbamate
CID 87837441
isocyano (2S)-2-aminopropanoate
CID 123737583
1-hydroxyethyl 2-amino-3-methyl-3-sulfanylbutanoate
CID 122661691
trisodium;acetic acid;ethane-1,2-diamine;hydride;1-hydroxyethyl acetate
CID 173012701
1-aminoethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 174390329

Frequently Asked Questions

What is the IUPAC name of sodium;1-aminoethyl N,N-bis(sulfanyl)carbamate;hydride?
The IUPAC name of sodium;1-aminoethyl N,N-bis(sulfanyl)carbamate;hydride (CID 173197666) is sodium;1-aminoethyl N,N-bis(sulfanyl)carbamate;hydride.
What is the SMILES notation for sodium;1-aminoethyl N,N-bis(sulfanyl)carbamate;hydride?
The canonical SMILES for sodium;1-aminoethyl N,N-bis(sulfanyl)carbamate;hydride is CC(N)OC(=O)N(S)S.[H-].[Na+].
What is the InChIKey of sodium;1-aminoethyl N,N-bis(sulfanyl)carbamate;hydride?
The InChIKey is MATFEAPECLUZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2S2.Na.H/c1-2(4)7-3(6)5(8)9;;/h2,8-9H,4H2,1H3;;/q;+1;-1.
What are the key properties of sodium;1-aminoethyl N,N-bis(sulfanyl)carbamate;hydride?
sodium;1-aminoethyl N,N-bis(sulfanyl)carbamate;hydride has a molecular weight of 192.24 g/mol, XLogP of -2.46, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-aminoethyl N,N-bis(sulfanyl)carbamate;hydride is sourced from PubChem (CID 173197666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).