N-[1-(2-methylpropylsulfanyl)propan-2-yl]-1-methylsulfanylpropan-2-amine

C11H25NS2 — CID 115721884

IUPACN-[1-(2-methylpropylsulfanyl)propan-2-yl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NC(C)CSCC(C)C
InChIInChI=1S/C11H25NS2/c1-9(2)6-14-8-11(4)12-10(3)7-13-5/h9-12H,6-8H2,1-5H3
InChIKeyYJOKMWJQSJKDOT-UHFFFAOYSA-N
MW235.46 g/mol
LogP3.11
Rot. Bonds8

About N-[1-(2-methylpropylsulfanyl)propan-2-yl]-1-methylsulfanylpropan-2-amine

N-[1-(2-methylpropylsulfanyl)propan-2-yl]-1-methylsulfanylpropan-2-amine (PubChem CID 115721884) has the molecular formula C11H25NS2 and a molecular weight of 235.46 g/mol. Its IUPAC name is N-[1-(2-methylpropylsulfanyl)propan-2-yl]-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(2-methylpropylsulfanyl)propan-2-yl]-1-methylsulfanylpropan-2-amine
PubChem CID115721884
Molecular FormulaC11H25NS2
Molecular Weight235.46 g/mol
Exact Mass235.14
IUPAC NameN-[1-(2-methylpropylsulfanyl)propan-2-yl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NC(C)CSCC(C)C
InChIInChI=1S/C11H25NS2/c1-9(2)6-14-8-11(4)12-10(3)7-13-5/h9-12H,6-8H2,1-5H3
InChIKeyYJOKMWJQSJKDOT-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropylsulfanyl)propan-2-yl]-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[1-(2-methylpropylsulfanyl)propan-2-yl]-1-methylsulfanylpropan-2-amine (CID 115721884) is N-[1-(2-methylpropylsulfanyl)propan-2-yl]-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[1-(2-methylpropylsulfanyl)propan-2-yl]-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[1-(2-methylpropylsulfanyl)propan-2-yl]-1-methylsulfanylpropan-2-amine is CSCC(C)NC(C)CSCC(C)C.
What is the InChIKey of N-[1-(2-methylpropylsulfanyl)propan-2-yl]-1-methylsulfanylpropan-2-amine?
The InChIKey is YJOKMWJQSJKDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS2/c1-9(2)6-14-8-11(4)12-10(3)7-13-5/h9-12H,6-8H2,1-5H3.
What are the key properties of N-[1-(2-methylpropylsulfanyl)propan-2-yl]-1-methylsulfanylpropan-2-amine?
N-[1-(2-methylpropylsulfanyl)propan-2-yl]-1-methylsulfanylpropan-2-amine has a molecular weight of 235.46 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropylsulfanyl)propan-2-yl]-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 115721884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).