(1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine

C14H19NS — CID 29081655

IUPAC(1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine
SMILESCC(C)CC[C@H](N)c1csc2ccccc12
InChIInChI=1S/C14H19NS/c1-10(2)7-8-13(15)12-9-16-14-6-4-3-5-11(12)14/h3-6,9-10,13H,7-8,15H2,1-2H3/t13-/m0/s1
InChIKeyRSMLMIYUPVNUBF-ZDUSSCGKSA-N
MW233.38 g/mol
LogP4.34
Rot. Bonds4

About (1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine

(1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine (PubChem CID 29081655) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is (1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name(1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine
PubChem CID29081655
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name(1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine
SMILESCC(C)CC[C@H](N)c1csc2ccccc12
InChIInChI=1S/C14H19NS/c1-10(2)7-8-13(15)12-9-16-14-6-4-3-5-11(12)14/h3-6,9-10,13H,7-8,15H2,1-2H3/t13-/m0/s1
InChIKeyRSMLMIYUPVNUBF-ZDUSSCGKSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(1-benzothiophen-3-yl)-4,4,4-trifluorobutan-1-amine
CID 171224591
5-amino-5-(1-benzothiophen-3-yl)pentan-2-one
CID 116940781
(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401
1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine
CID 63833767
(1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride
CID 171224605
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910
1-(1-benzothiophen-3-yl)but-3-en-1-amine
CID 112693252
(1R)-1-(1-benzothiophen-3-yl)but-3-en-1-amine;hydrochloride
CID 171205013
3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 60733920
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104989989
1-(1-benzothiophen-3-yl)-2-(4-fluorophenyl)ethanamine
CID 43150893

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine?
The IUPAC name of (1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine (CID 29081655) is (1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine.
What is the SMILES notation for (1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine?
The canonical SMILES for (1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine is CC(C)CC[C@H](N)c1csc2ccccc12.
What is the InChIKey of (1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine?
The InChIKey is RSMLMIYUPVNUBF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NS/c1-10(2)7-8-13(15)12-9-16-14-6-4-3-5-11(12)14/h3-6,9-10,13H,7-8,15H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine?
(1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 29081655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).