(2-amino-3-hydroxy-2-methylpropyl) N,N-bis(sulfanyl)carbamate

C5H12N2O3S2 — CID 174158124

IUPAC(2-amino-3-hydroxy-2-methylpropyl) N,N-bis(sulfanyl)carbamate
SMILESCC(N)(CO)COC(=O)N(S)S
InChIInChI=1S/C5H12N2O3S2/c1-5(6,2-8)3-10-4(9)7(11)12/h8,11-12H,2-3,6H2,1H3
InChIKeyCJGZRIFVIFGQSB-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.18
Rot. Bonds3

About (2-amino-3-hydroxy-2-methylpropyl) N,N-bis(sulfanyl)carbamate

(2-amino-3-hydroxy-2-methylpropyl) N,N-bis(sulfanyl)carbamate (PubChem CID 174158124) has the molecular formula C5H12N2O3S2 and a molecular weight of 212.30 g/mol. Its IUPAC name is (2-amino-3-hydroxy-2-methylpropyl) N,N-bis(sulfanyl)carbamate.

Molecular Properties

Compound Name(2-amino-3-hydroxy-2-methylpropyl) N,N-bis(sulfanyl)carbamate
PubChem CID174158124
Molecular FormulaC5H12N2O3S2
Molecular Weight212.30 g/mol
Exact Mass212.03
IUPAC Name(2-amino-3-hydroxy-2-methylpropyl) N,N-bis(sulfanyl)carbamate
SMILESCC(N)(CO)COC(=O)N(S)S
InChIInChI=1S/C5H12N2O3S2/c1-5(6,2-8)3-10-4(9)7(11)12/h8,11-12H,2-3,6H2,1H3
InChIKeyCJGZRIFVIFGQSB-UHFFFAOYSA-N
XLogP-0.18
TPSA75.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
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 (2-amino-3-hydroxy-2-methylpropyl) N,N-bis(sulfanyl)carbamate?
The IUPAC name of (2-amino-3-hydroxy-2-methylpropyl) N,N-bis(sulfanyl)carbamate (CID 174158124) is (2-amino-3-hydroxy-2-methylpropyl) N,N-bis(sulfanyl)carbamate.
What is the SMILES notation for (2-amino-3-hydroxy-2-methylpropyl) N,N-bis(sulfanyl)carbamate?
The canonical SMILES for (2-amino-3-hydroxy-2-methylpropyl) N,N-bis(sulfanyl)carbamate is CC(N)(CO)COC(=O)N(S)S.
What is the InChIKey of (2-amino-3-hydroxy-2-methylpropyl) N,N-bis(sulfanyl)carbamate?
The InChIKey is CJGZRIFVIFGQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S2/c1-5(6,2-8)3-10-4(9)7(11)12/h8,11-12H,2-3,6H2,1H3.
What are the key properties of (2-amino-3-hydroxy-2-methylpropyl) N,N-bis(sulfanyl)carbamate?
(2-amino-3-hydroxy-2-methylpropyl) N,N-bis(sulfanyl)carbamate has a molecular weight of 212.30 g/mol, XLogP of -0.18, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-hydroxy-2-methylpropyl) N,N-bis(sulfanyl)carbamate is sourced from PubChem (CID 174158124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).