2-N-(trimethyl-λ4-sulfanyl)hexane-1,2,3-triamine

C9H25N3S — CID 163420008

IUPAC2-N-(trimethyl-λ4-sulfanyl)hexane-1,2,3-triamine
SMILESCCCC(N)C(CN)NS(C)(C)C
InChIInChI=1S/C9H25N3S/c1-5-6-8(11)9(7-10)12-13(2,3)4/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeyAHQWZMYWXLADCO-UHFFFAOYSA-N
MW207.39 g/mol
LogP0.64
Rot. Bonds6

About 2-N-(trimethyl-λ4-sulfanyl)hexane-1,2,3-triamine

2-N-(trimethyl-λ4-sulfanyl)hexane-1,2,3-triamine (PubChem CID 163420008) has the molecular formula C9H25N3S and a molecular weight of 207.39 g/mol. Its IUPAC name is 2-N-(trimethyl-λ4-sulfanyl)hexane-1,2,3-triamine.

Molecular Properties

Compound Name2-N-(trimethyl-λ4-sulfanyl)hexane-1,2,3-triamine
PubChem CID163420008
Molecular FormulaC9H25N3S
Molecular Weight207.39 g/mol
Exact Mass207.18
IUPAC Name2-N-(trimethyl-λ4-sulfanyl)hexane-1,2,3-triamine
SMILESCCCC(N)C(CN)NS(C)(C)C
InChIInChI=1S/C9H25N3S/c1-5-6-8(11)9(7-10)12-13(2,3)4/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeyAHQWZMYWXLADCO-UHFFFAOYSA-N
XLogP0.64
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.39
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(trimethyl-λ4-sulfanyl)hexane-1,2,3-triamine?
The IUPAC name of 2-N-(trimethyl-λ4-sulfanyl)hexane-1,2,3-triamine (CID 163420008) is 2-N-(trimethyl-λ4-sulfanyl)hexane-1,2,3-triamine.
What is the SMILES notation for 2-N-(trimethyl-λ4-sulfanyl)hexane-1,2,3-triamine?
The canonical SMILES for 2-N-(trimethyl-λ4-sulfanyl)hexane-1,2,3-triamine is CCCC(N)C(CN)NS(C)(C)C.
What is the InChIKey of 2-N-(trimethyl-λ4-sulfanyl)hexane-1,2,3-triamine?
The InChIKey is AHQWZMYWXLADCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H25N3S/c1-5-6-8(11)9(7-10)12-13(2,3)4/h8-9,12H,5-7,10-11H2,1-4H3.
What are the key properties of 2-N-(trimethyl-λ4-sulfanyl)hexane-1,2,3-triamine?
2-N-(trimethyl-λ4-sulfanyl)hexane-1,2,3-triamine has a molecular weight of 207.39 g/mol, XLogP of 0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(trimethyl-λ4-sulfanyl)hexane-1,2,3-triamine is sourced from PubChem (CID 163420008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).