2-[amino(dihydroxy)-λ4-sulfanyl]-N-methylethanamine

C3H12N2O2S — CID 142366014

IUPAC2-[amino(dihydroxy)-λ4-sulfanyl]-N-methylethanamine
SMILESCNCCS(N)(O)O
InChIInChI=1S/C3H12N2O2S/c1-5-2-3-8(4,6)7/h5-7H,2-4H2,1H3
InChIKeyRQPFYTPNQRQQCB-UHFFFAOYSA-N
MW140.21 g/mol
LogP-0.17
Rot. Bonds3

About 2-[amino(dihydroxy)-λ4-sulfanyl]-N-methylethanamine

2-[amino(dihydroxy)-λ4-sulfanyl]-N-methylethanamine (PubChem CID 142366014) has the molecular formula C3H12N2O2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 2-[amino(dihydroxy)-λ4-sulfanyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[amino(dihydroxy)-λ4-sulfanyl]-N-methylethanamine
PubChem CID142366014
Molecular FormulaC3H12N2O2S
Molecular Weight140.21 g/mol
Exact Mass140.06
IUPAC Name2-[amino(dihydroxy)-λ4-sulfanyl]-N-methylethanamine
SMILESCNCCS(N)(O)O
InChIInChI=1S/C3H12N2O2S/c1-5-2-3-8(4,6)7/h5-7H,2-4H2,1H3
InChIKeyRQPFYTPNQRQQCB-UHFFFAOYSA-N
XLogP-0.17
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(dihydroxy)-λ4-sulfanyl]-N-methylethanamine?
The IUPAC name of 2-[amino(dihydroxy)-λ4-sulfanyl]-N-methylethanamine (CID 142366014) is 2-[amino(dihydroxy)-λ4-sulfanyl]-N-methylethanamine.
What is the SMILES notation for 2-[amino(dihydroxy)-λ4-sulfanyl]-N-methylethanamine?
The canonical SMILES for 2-[amino(dihydroxy)-λ4-sulfanyl]-N-methylethanamine is CNCCS(N)(O)O.
What is the InChIKey of 2-[amino(dihydroxy)-λ4-sulfanyl]-N-methylethanamine?
The InChIKey is RQPFYTPNQRQQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12N2O2S/c1-5-2-3-8(4,6)7/h5-7H,2-4H2,1H3.
What are the key properties of 2-[amino(dihydroxy)-λ4-sulfanyl]-N-methylethanamine?
2-[amino(dihydroxy)-λ4-sulfanyl]-N-methylethanamine has a molecular weight of 140.21 g/mol, XLogP of -0.17, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(dihydroxy)-λ4-sulfanyl]-N-methylethanamine is sourced from PubChem (CID 142366014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).