2-[3-(2-aminoethylsulfanyl)-2-(2-aminoethylsulfanylmethyl)-2-methylpropyl]sulfanylethanamine

C11H27N3S3 — CID 11000989

IUPAC2-[3-(2-aminoethylsulfanyl)-2-(2-aminoethylsulfanylmethyl)-2-methylpropyl]sulfanylethanamine
SMILESCC(CSCCN)(CSCCN)CSCCN
InChIInChI=1S/C11H27N3S3/c1-11(8-15-5-2-12,9-16-6-3-13)10-17-7-4-14/h2-10,12-14H2,1H3
InChIKeyRSVXECDMHJZJFB-UHFFFAOYSA-N
MW297.56 g/mol
LogP1.07
Rot. Bonds12

About 2-[3-(2-aminoethylsulfanyl)-2-(2-aminoethylsulfanylmethyl)-2-methylpropyl]sulfanylethanamine

2-[3-(2-aminoethylsulfanyl)-2-(2-aminoethylsulfanylmethyl)-2-methylpropyl]sulfanylethanamine (PubChem CID 11000989) has the molecular formula C11H27N3S3 and a molecular weight of 297.56 g/mol. Its IUPAC name is 2-[3-(2-aminoethylsulfanyl)-2-(2-aminoethylsulfanylmethyl)-2-methylpropyl]sulfanylethanamine.

Molecular Properties

Compound Name2-[3-(2-aminoethylsulfanyl)-2-(2-aminoethylsulfanylmethyl)-2-methylpropyl]sulfanylethanamine
PubChem CID11000989
Molecular FormulaC11H27N3S3
Molecular Weight297.56 g/mol
Exact Mass297.14
IUPAC Name2-[3-(2-aminoethylsulfanyl)-2-(2-aminoethylsulfanylmethyl)-2-methylpropyl]sulfanylethanamine
SMILESCC(CSCCN)(CSCCN)CSCCN
InChIInChI=1S/C11H27N3S3/c1-11(8-15-5-2-12,9-16-6-3-13)10-17-7-4-14/h2-10,12-14H2,1H3
InChIKeyRSVXECDMHJZJFB-UHFFFAOYSA-N
XLogP1.07
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.56
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethylsulfanyl)-2-(2-aminoethylsulfanylmethyl)-2-methylpropyl]sulfanylethanamine?
The IUPAC name of 2-[3-(2-aminoethylsulfanyl)-2-(2-aminoethylsulfanylmethyl)-2-methylpropyl]sulfanylethanamine (CID 11000989) is 2-[3-(2-aminoethylsulfanyl)-2-(2-aminoethylsulfanylmethyl)-2-methylpropyl]sulfanylethanamine.
What is the SMILES notation for 2-[3-(2-aminoethylsulfanyl)-2-(2-aminoethylsulfanylmethyl)-2-methylpropyl]sulfanylethanamine?
The canonical SMILES for 2-[3-(2-aminoethylsulfanyl)-2-(2-aminoethylsulfanylmethyl)-2-methylpropyl]sulfanylethanamine is CC(CSCCN)(CSCCN)CSCCN.
What is the InChIKey of 2-[3-(2-aminoethylsulfanyl)-2-(2-aminoethylsulfanylmethyl)-2-methylpropyl]sulfanylethanamine?
The InChIKey is RSVXECDMHJZJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3S3/c1-11(8-15-5-2-12,9-16-6-3-13)10-17-7-4-14/h2-10,12-14H2,1H3.
What are the key properties of 2-[3-(2-aminoethylsulfanyl)-2-(2-aminoethylsulfanylmethyl)-2-methylpropyl]sulfanylethanamine?
2-[3-(2-aminoethylsulfanyl)-2-(2-aminoethylsulfanylmethyl)-2-methylpropyl]sulfanylethanamine has a molecular weight of 297.56 g/mol, XLogP of 1.07, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethylsulfanyl)-2-(2-aminoethylsulfanylmethyl)-2-methylpropyl]sulfanylethanamine is sourced from PubChem (CID 11000989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).