5-butylthiolan-3-amine

C8H17NS — CID 144998009

IUPAC5-butylthiolan-3-amine
SMILESCCCCC1CC(N)CS1
InChIInChI=1S/C8H17NS/c1-2-3-4-8-5-7(9)6-10-8/h7-8H,2-6,9H2,1H3
InChIKeyLFRFSVPEOXGZTL-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.01
Rot. Bonds3

About 5-butylthiolan-3-amine

5-butylthiolan-3-amine (PubChem CID 144998009) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 5-butylthiolan-3-amine.

Molecular Properties

Compound Name5-butylthiolan-3-amine
PubChem CID144998009
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name5-butylthiolan-3-amine
SMILESCCCCC1CC(N)CS1
InChIInChI=1S/C8H17NS/c1-2-3-4-8-5-7(9)6-10-8/h7-8H,2-6,9H2,1H3
InChIKeyLFRFSVPEOXGZTL-UHFFFAOYSA-N
XLogP2.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(2S,4R)-4-aminothiolan-2-yl]hexan-2-one
CID 163416224
2-butylthietane
CID 102085907
2,5-dibutyl-1,4-oxathiane
CID 19349494
4-butylthian-3-amine
CID 84766556
4-pentyl-1,3-dithiolane
CID 174302072
1-butyl-3,5-dipropylcyclohexane
CID 145132341
4-nonylthiolan-3-amine
CID 83196598
(6R)-6-butylpentathiepane
CID 7244669
2-nonylthietane
CID 21487379
(2S)-4-fluoro-2-heptylthiane
CID 154715733
2-butyl-2,3-dihydrothiophene
CID 57171816
[(1R,3S)-3-butylcyclopentyl]methanamine
CID 70345503

Frequently Asked Questions

What is the IUPAC name of 5-butylthiolan-3-amine?
The IUPAC name of 5-butylthiolan-3-amine (CID 144998009) is 5-butylthiolan-3-amine.
What is the SMILES notation for 5-butylthiolan-3-amine?
The canonical SMILES for 5-butylthiolan-3-amine is CCCCC1CC(N)CS1.
What is the InChIKey of 5-butylthiolan-3-amine?
The InChIKey is LFRFSVPEOXGZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-2-3-4-8-5-7(9)6-10-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 5-butylthiolan-3-amine?
5-butylthiolan-3-amine has a molecular weight of 159.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylthiolan-3-amine is sourced from PubChem (CID 144998009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).