N'-[2-[bis(sulfanyl)amino]ethyl]ethane-1,2-diamine

C4H13N3S2 — CID 175157596

IUPACN'-[2-[bis(sulfanyl)amino]ethyl]ethane-1,2-diamine
SMILESNCCNCCN(S)S
InChIInChI=1S/C4H13N3S2/c5-1-2-6-3-4-7(8)9/h6,8-9H,1-5H2
InChIKeyQPVRRWDFQUAHEL-UHFFFAOYSA-N
MW167.30 g/mol
LogP-0.47
Rot. Bonds5

About N'-[2-[bis(sulfanyl)amino]ethyl]ethane-1,2-diamine

N'-[2-[bis(sulfanyl)amino]ethyl]ethane-1,2-diamine (PubChem CID 175157596) has the molecular formula C4H13N3S2 and a molecular weight of 167.30 g/mol. Its IUPAC name is N'-[2-[bis(sulfanyl)amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[bis(sulfanyl)amino]ethyl]ethane-1,2-diamine
PubChem CID175157596
Molecular FormulaC4H13N3S2
Molecular Weight167.30 g/mol
Exact Mass167.06
IUPAC NameN'-[2-[bis(sulfanyl)amino]ethyl]ethane-1,2-diamine
SMILESNCCNCCN(S)S
InChIInChI=1S/C4H13N3S2/c5-1-2-6-3-4-7(8)9/h6,8-9H,1-5H2
InChIKeyQPVRRWDFQUAHEL-UHFFFAOYSA-N
XLogP-0.47
TPSA41.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[bis(sulfanyl)amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[bis(sulfanyl)amino]ethyl]ethane-1,2-diamine (CID 175157596) is N'-[2-[bis(sulfanyl)amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[bis(sulfanyl)amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[bis(sulfanyl)amino]ethyl]ethane-1,2-diamine is NCCNCCN(S)S.
What is the InChIKey of N'-[2-[bis(sulfanyl)amino]ethyl]ethane-1,2-diamine?
The InChIKey is QPVRRWDFQUAHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3S2/c5-1-2-6-3-4-7(8)9/h6,8-9H,1-5H2.
What are the key properties of N'-[2-[bis(sulfanyl)amino]ethyl]ethane-1,2-diamine?
N'-[2-[bis(sulfanyl)amino]ethyl]ethane-1,2-diamine has a molecular weight of 167.30 g/mol, XLogP of -0.47, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[bis(sulfanyl)amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 175157596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).