N-tert-butyl-3-methyl-2-thiophen-2-ylsulfanylbutan-1-amine

C13H23NS2 — CID 62578599

IUPACN-tert-butyl-3-methyl-2-thiophen-2-ylsulfanylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)Sc1cccs1
InChIInChI=1S/C13H23NS2/c1-10(2)11(9-14-13(3,4)5)16-12-7-6-8-15-12/h6-8,10-11,14H,9H2,1-5H3
InChIKeySWBQZSBCIVDTMH-UHFFFAOYSA-N
MW257.47 g/mol
LogP4.25
Rot. Bonds5

About N-tert-butyl-3-methyl-2-thiophen-2-ylsulfanylbutan-1-amine

N-tert-butyl-3-methyl-2-thiophen-2-ylsulfanylbutan-1-amine (PubChem CID 62578599) has the molecular formula C13H23NS2 and a molecular weight of 257.47 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-thiophen-2-ylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-2-thiophen-2-ylsulfanylbutan-1-amine
PubChem CID62578599
Molecular FormulaC13H23NS2
Molecular Weight257.47 g/mol
Exact Mass257.13
IUPAC NameN-tert-butyl-3-methyl-2-thiophen-2-ylsulfanylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)Sc1cccs1
InChIInChI=1S/C13H23NS2/c1-10(2)11(9-14-13(3,4)5)16-12-7-6-8-15-12/h6-8,10-11,14H,9H2,1-5H3
InChIKeySWBQZSBCIVDTMH-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-2-thiophen-2-ylsulfanylbutan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-2-thiophen-2-ylsulfanylbutan-1-amine (CID 62578599) is N-tert-butyl-3-methyl-2-thiophen-2-ylsulfanylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-2-thiophen-2-ylsulfanylbutan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-2-thiophen-2-ylsulfanylbutan-1-amine is CC(C)C(CNC(C)(C)C)Sc1cccs1.
What is the InChIKey of N-tert-butyl-3-methyl-2-thiophen-2-ylsulfanylbutan-1-amine?
The InChIKey is SWBQZSBCIVDTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS2/c1-10(2)11(9-14-13(3,4)5)16-12-7-6-8-15-12/h6-8,10-11,14H,9H2,1-5H3.
What are the key properties of N-tert-butyl-3-methyl-2-thiophen-2-ylsulfanylbutan-1-amine?
N-tert-butyl-3-methyl-2-thiophen-2-ylsulfanylbutan-1-amine has a molecular weight of 257.47 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-2-thiophen-2-ylsulfanylbutan-1-amine is sourced from PubChem (CID 62578599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).