2-[butan-2-yl(chlorosulfinyl)amino]butane

C8H18ClNOS — CID 23278780

IUPAC2-[butan-2-yl(chlorosulfinyl)amino]butane
SMILESCCC(C)N(C(C)CC)S(=O)Cl
InChIInChI=1S/C8H18ClNOS/c1-5-7(3)10(12(9)11)8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKeyAOHPMMMRYTUXEM-UHFFFAOYSA-N
MW211.76 g/mol
LogP2.70
Rot. Bonds5

About 2-[butan-2-yl(chlorosulfinyl)amino]butane

2-[butan-2-yl(chlorosulfinyl)amino]butane (PubChem CID 23278780) has the molecular formula C8H18ClNOS and a molecular weight of 211.76 g/mol. Its IUPAC name is 2-[butan-2-yl(chlorosulfinyl)amino]butane.

Molecular Properties

Compound Name2-[butan-2-yl(chlorosulfinyl)amino]butane
PubChem CID23278780
Molecular FormulaC8H18ClNOS
Molecular Weight211.76 g/mol
Exact Mass211.08
IUPAC Name2-[butan-2-yl(chlorosulfinyl)amino]butane
SMILESCCC(C)N(C(C)CC)S(=O)Cl
InChIInChI=1S/C8H18ClNOS/c1-5-7(3)10(12(9)11)8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKeyAOHPMMMRYTUXEM-UHFFFAOYSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.76
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(chlorosulfinyl)amino]butane?
The IUPAC name of 2-[butan-2-yl(chlorosulfinyl)amino]butane (CID 23278780) is 2-[butan-2-yl(chlorosulfinyl)amino]butane.
What is the SMILES notation for 2-[butan-2-yl(chlorosulfinyl)amino]butane?
The canonical SMILES for 2-[butan-2-yl(chlorosulfinyl)amino]butane is CCC(C)N(C(C)CC)S(=O)Cl.
What is the InChIKey of 2-[butan-2-yl(chlorosulfinyl)amino]butane?
The InChIKey is AOHPMMMRYTUXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNOS/c1-5-7(3)10(12(9)11)8(4)6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-[butan-2-yl(chlorosulfinyl)amino]butane?
2-[butan-2-yl(chlorosulfinyl)amino]butane has a molecular weight of 211.76 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(chlorosulfinyl)amino]butane is sourced from PubChem (CID 23278780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).