2-(2-aminoethylsulfanyl)propane-1,3-diamine

C5H15N3S — CID 87634594

IUPAC2-(2-aminoethylsulfanyl)propane-1,3-diamine
SMILESNCCSC(CN)CN
InChIInChI=1S/C5H15N3S/c6-1-2-9-5(3-7)4-8/h5H,1-4,6-8H2
InChIKeySJJKHXMREDKFIM-UHFFFAOYSA-N
MW149.26 g/mol
LogP-1.04
Rot. Bonds5

About 2-(2-aminoethylsulfanyl)propane-1,3-diamine

2-(2-aminoethylsulfanyl)propane-1,3-diamine (PubChem CID 87634594) has the molecular formula C5H15N3S and a molecular weight of 149.26 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)propane-1,3-diamine
PubChem CID87634594
Molecular FormulaC5H15N3S
Molecular Weight149.26 g/mol
Exact Mass149.10
IUPAC Name2-(2-aminoethylsulfanyl)propane-1,3-diamine
SMILESNCCSC(CN)CN
InChIInChI=1S/C5H15N3S/c6-1-2-9-5(3-7)4-8/h5H,1-4,6-8H2
InChIKeySJJKHXMREDKFIM-UHFFFAOYSA-N
XLogP-1.04
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-ylsulfanylethanamine
CID 15111098
2-(difluoromethylsulfanyl)ethanamine
CID 43249706
2-propan-2-ylsulfanylethanamine;hydrochloride
CID 54758985
2-(2-aminoethyldisulfanyl)ethanamine
CID 2915
6,8-bis(2-aminoethylsulfanyl)octanal
CID 146199473
1-(2-aminoethylsulfanyl)butan-2-ol;2-(2-aminoethylsulfanyl)butan-1-ol
CID 159470614
3-(2-aminoethylsulfanyl)butanoic acid
CID 61320284
3-(2-aminoethylsulfanyl)-3-sulfanylpropanoic acid
CID 123607254
2-(1-aminobutan-2-ylsulfanyl)butan-1-amine
CID 154144954
2-(2-aminoethylsulfanyl)-3-phenylpropanal
CID 84817937
2,3-bis(3-aminopropylsulfanyl)propan-1-ol
CID 86169687
2-aminoethyl thiohypochlorite
CID 87121538

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)propane-1,3-diamine?
The IUPAC name of 2-(2-aminoethylsulfanyl)propane-1,3-diamine (CID 87634594) is 2-(2-aminoethylsulfanyl)propane-1,3-diamine.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)propane-1,3-diamine?
The canonical SMILES for 2-(2-aminoethylsulfanyl)propane-1,3-diamine is NCCSC(CN)CN.
What is the InChIKey of 2-(2-aminoethylsulfanyl)propane-1,3-diamine?
The InChIKey is SJJKHXMREDKFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3S/c6-1-2-9-5(3-7)4-8/h5H,1-4,6-8H2.
What are the key properties of 2-(2-aminoethylsulfanyl)propane-1,3-diamine?
2-(2-aminoethylsulfanyl)propane-1,3-diamine has a molecular weight of 149.26 g/mol, XLogP of -1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)propane-1,3-diamine is sourced from PubChem (CID 87634594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).