1-N-[ethyl(methyl)amino]sulfanyloxy-1-N,2-N,3,3-tetramethylbutane-1,2-diamine

C11H27N3OS — CID 143105349

IUPAC1-N-[ethyl(methyl)amino]sulfanyloxy-1-N,2-N,3,3-tetramethylbutane-1,2-diamine
SMILESCCN(C)SON(C)CC(NC)C(C)(C)C
InChIInChI=1S/C11H27N3OS/c1-8-14(7)16-15-13(6)9-10(12-5)11(2,3)4/h10,12H,8-9H2,1-7H3
InChIKeyGTFBZADMPZYVQH-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.00
Rot. Bonds7

About 1-N-[ethyl(methyl)amino]sulfanyloxy-1-N,2-N,3,3-tetramethylbutane-1,2-diamine

1-N-[ethyl(methyl)amino]sulfanyloxy-1-N,2-N,3,3-tetramethylbutane-1,2-diamine (PubChem CID 143105349) has the molecular formula C11H27N3OS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-N-[ethyl(methyl)amino]sulfanyloxy-1-N,2-N,3,3-tetramethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[ethyl(methyl)amino]sulfanyloxy-1-N,2-N,3,3-tetramethylbutane-1,2-diamine
PubChem CID143105349
Molecular FormulaC11H27N3OS
Molecular Weight249.42 g/mol
Exact Mass249.19
IUPAC Name1-N-[ethyl(methyl)amino]sulfanyloxy-1-N,2-N,3,3-tetramethylbutane-1,2-diamine
SMILESCCN(C)SON(C)CC(NC)C(C)(C)C
InChIInChI=1S/C11H27N3OS/c1-8-14(7)16-15-13(6)9-10(12-5)11(2,3)4/h10,12H,8-9H2,1-7H3
InChIKeyGTFBZADMPZYVQH-UHFFFAOYSA-N
XLogP2.00
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-[ethyl(methyl)amino]sulfanyloxy-1-N,2-N,3,3-tetramethylbutane-1,2-diamine?
The IUPAC name of 1-N-[ethyl(methyl)amino]sulfanyloxy-1-N,2-N,3,3-tetramethylbutane-1,2-diamine (CID 143105349) is 1-N-[ethyl(methyl)amino]sulfanyloxy-1-N,2-N,3,3-tetramethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[ethyl(methyl)amino]sulfanyloxy-1-N,2-N,3,3-tetramethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[ethyl(methyl)amino]sulfanyloxy-1-N,2-N,3,3-tetramethylbutane-1,2-diamine is CCN(C)SON(C)CC(NC)C(C)(C)C.
What is the InChIKey of 1-N-[ethyl(methyl)amino]sulfanyloxy-1-N,2-N,3,3-tetramethylbutane-1,2-diamine?
The InChIKey is GTFBZADMPZYVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3OS/c1-8-14(7)16-15-13(6)9-10(12-5)11(2,3)4/h10,12H,8-9H2,1-7H3.
What are the key properties of 1-N-[ethyl(methyl)amino]sulfanyloxy-1-N,2-N,3,3-tetramethylbutane-1,2-diamine?
1-N-[ethyl(methyl)amino]sulfanyloxy-1-N,2-N,3,3-tetramethylbutane-1,2-diamine has a molecular weight of 249.42 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[ethyl(methyl)amino]sulfanyloxy-1-N,2-N,3,3-tetramethylbutane-1,2-diamine is sourced from PubChem (CID 143105349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).