N-(2-thiophen-2-ylsulfanylpropyl)pentan-3-amine

C12H21NS2 — CID 62579006

IUPACN-(2-thiophen-2-ylsulfanylpropyl)pentan-3-amine
SMILESCCC(CC)NCC(C)Sc1cccs1
InChIInChI=1S/C12H21NS2/c1-4-11(5-2)13-9-10(3)15-12-7-6-8-14-12/h6-8,10-11,13H,4-5,9H2,1-3H3
InChIKeyDDIUTLAQCDMQHS-UHFFFAOYSA-N
MW243.44 g/mol
LogP4.01
Rot. Bonds7

About N-(2-thiophen-2-ylsulfanylpropyl)pentan-3-amine

N-(2-thiophen-2-ylsulfanylpropyl)pentan-3-amine (PubChem CID 62579006) has the molecular formula C12H21NS2 and a molecular weight of 243.44 g/mol. Its IUPAC name is N-(2-thiophen-2-ylsulfanylpropyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-thiophen-2-ylsulfanylpropyl)pentan-3-amine
PubChem CID62579006
Molecular FormulaC12H21NS2
Molecular Weight243.44 g/mol
Exact Mass243.11
IUPAC NameN-(2-thiophen-2-ylsulfanylpropyl)pentan-3-amine
SMILESCCC(CC)NCC(C)Sc1cccs1
InChIInChI=1S/C12H21NS2/c1-4-11(5-2)13-9-10(3)15-12-7-6-8-14-12/h6-8,10-11,13H,4-5,9H2,1-3H3
InChIKeyDDIUTLAQCDMQHS-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylsulfanylpropyl)pentan-3-amine?
The IUPAC name of N-(2-thiophen-2-ylsulfanylpropyl)pentan-3-amine (CID 62579006) is N-(2-thiophen-2-ylsulfanylpropyl)pentan-3-amine.
What is the SMILES notation for N-(2-thiophen-2-ylsulfanylpropyl)pentan-3-amine?
The canonical SMILES for N-(2-thiophen-2-ylsulfanylpropyl)pentan-3-amine is CCC(CC)NCC(C)Sc1cccs1.
What is the InChIKey of N-(2-thiophen-2-ylsulfanylpropyl)pentan-3-amine?
The InChIKey is DDIUTLAQCDMQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS2/c1-4-11(5-2)13-9-10(3)15-12-7-6-8-14-12/h6-8,10-11,13H,4-5,9H2,1-3H3.
What are the key properties of N-(2-thiophen-2-ylsulfanylpropyl)pentan-3-amine?
N-(2-thiophen-2-ylsulfanylpropyl)pentan-3-amine has a molecular weight of 243.44 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylsulfanylpropyl)pentan-3-amine is sourced from PubChem (CID 62579006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).