N-(1-tert-butylsulfanylpropan-2-yl)-1-ethylsulfanylpropan-2-amine

C12H27NS2 — CID 115725661

IUPACN-(1-tert-butylsulfanylpropan-2-yl)-1-ethylsulfanylpropan-2-amine
SMILESCCSCC(C)NC(C)CSC(C)(C)C
InChIInChI=1S/C12H27NS2/c1-7-14-8-10(2)13-11(3)9-15-12(4,5)6/h10-11,13H,7-9H2,1-6H3
InChIKeySRNIYBDCMFTUEM-UHFFFAOYSA-N
MW249.49 g/mol
LogP3.64
Rot. Bonds7

About N-(1-tert-butylsulfanylpropan-2-yl)-1-ethylsulfanylpropan-2-amine

N-(1-tert-butylsulfanylpropan-2-yl)-1-ethylsulfanylpropan-2-amine (PubChem CID 115725661) has the molecular formula C12H27NS2 and a molecular weight of 249.49 g/mol. Its IUPAC name is N-(1-tert-butylsulfanylpropan-2-yl)-1-ethylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-(1-tert-butylsulfanylpropan-2-yl)-1-ethylsulfanylpropan-2-amine
PubChem CID115725661
Molecular FormulaC12H27NS2
Molecular Weight249.49 g/mol
Exact Mass249.16
IUPAC NameN-(1-tert-butylsulfanylpropan-2-yl)-1-ethylsulfanylpropan-2-amine
SMILESCCSCC(C)NC(C)CSC(C)(C)C
InChIInChI=1S/C12H27NS2/c1-7-14-8-10(2)13-11(3)9-15-12(4,5)6/h10-11,13H,7-9H2,1-6H3
InChIKeySRNIYBDCMFTUEM-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylsulfanylpropan-2-yl)-1-ethylsulfanylpropan-2-amine?
The IUPAC name of N-(1-tert-butylsulfanylpropan-2-yl)-1-ethylsulfanylpropan-2-amine (CID 115725661) is N-(1-tert-butylsulfanylpropan-2-yl)-1-ethylsulfanylpropan-2-amine.
What is the SMILES notation for N-(1-tert-butylsulfanylpropan-2-yl)-1-ethylsulfanylpropan-2-amine?
The canonical SMILES for N-(1-tert-butylsulfanylpropan-2-yl)-1-ethylsulfanylpropan-2-amine is CCSCC(C)NC(C)CSC(C)(C)C.
What is the InChIKey of N-(1-tert-butylsulfanylpropan-2-yl)-1-ethylsulfanylpropan-2-amine?
The InChIKey is SRNIYBDCMFTUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NS2/c1-7-14-8-10(2)13-11(3)9-15-12(4,5)6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of N-(1-tert-butylsulfanylpropan-2-yl)-1-ethylsulfanylpropan-2-amine?
N-(1-tert-butylsulfanylpropan-2-yl)-1-ethylsulfanylpropan-2-amine has a molecular weight of 249.49 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylsulfanylpropan-2-yl)-1-ethylsulfanylpropan-2-amine is sourced from PubChem (CID 115725661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).