2-methyl-5-[(3S)-3-methyl-2,3-dihydrothiophen-2-yl]pentan-2-amine

C11H21NS — CID 70658744

IUPAC2-methyl-5-[(3S)-3-methyl-2,3-dihydrothiophen-2-yl]pentan-2-amine
SMILESC[C@H]1C=CSC1CCCC(C)(C)N
InChIInChI=1S/C11H21NS/c1-9-6-8-13-10(9)5-4-7-11(2,3)12/h6,8-10H,4-5,7,12H2,1-3H3/t9-,10?/m0/s1
InChIKeyXJSUCSYWLKXSOO-RGURZIINSA-N
MW199.36 g/mol
LogP3.16
Rot. Bonds4

About 2-methyl-5-[(3S)-3-methyl-2,3-dihydrothiophen-2-yl]pentan-2-amine

2-methyl-5-[(3S)-3-methyl-2,3-dihydrothiophen-2-yl]pentan-2-amine (PubChem CID 70658744) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2-methyl-5-[(3S)-3-methyl-2,3-dihydrothiophen-2-yl]pentan-2-amine.

Molecular Properties

Compound Name2-methyl-5-[(3S)-3-methyl-2,3-dihydrothiophen-2-yl]pentan-2-amine
PubChem CID70658744
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2-methyl-5-[(3S)-3-methyl-2,3-dihydrothiophen-2-yl]pentan-2-amine
SMILESC[C@H]1C=CSC1CCCC(C)(C)N
InChIInChI=1S/C11H21NS/c1-9-6-8-13-10(9)5-4-7-11(2,3)12/h6,8-10H,4-5,7,12H2,1-3H3/t9-,10?/m0/s1
InChIKeyXJSUCSYWLKXSOO-RGURZIINSA-N
XLogP3.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3S)-3-methyl-2,3-dihydrothiophen-2-yl]pentan-2-amine?
The IUPAC name of 2-methyl-5-[(3S)-3-methyl-2,3-dihydrothiophen-2-yl]pentan-2-amine (CID 70658744) is 2-methyl-5-[(3S)-3-methyl-2,3-dihydrothiophen-2-yl]pentan-2-amine.
What is the SMILES notation for 2-methyl-5-[(3S)-3-methyl-2,3-dihydrothiophen-2-yl]pentan-2-amine?
The canonical SMILES for 2-methyl-5-[(3S)-3-methyl-2,3-dihydrothiophen-2-yl]pentan-2-amine is C[C@H]1C=CSC1CCCC(C)(C)N.
What is the InChIKey of 2-methyl-5-[(3S)-3-methyl-2,3-dihydrothiophen-2-yl]pentan-2-amine?
The InChIKey is XJSUCSYWLKXSOO-RGURZIINSA-N. The full InChI is InChI=1S/C11H21NS/c1-9-6-8-13-10(9)5-4-7-11(2,3)12/h6,8-10H,4-5,7,12H2,1-3H3/t9-,10?/m0/s1.
What are the key properties of 2-methyl-5-[(3S)-3-methyl-2,3-dihydrothiophen-2-yl]pentan-2-amine?
2-methyl-5-[(3S)-3-methyl-2,3-dihydrothiophen-2-yl]pentan-2-amine has a molecular weight of 199.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3S)-3-methyl-2,3-dihydrothiophen-2-yl]pentan-2-amine is sourced from PubChem (CID 70658744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).