(S)-(5-methylfuran-2-yl)-(thiolan-2-yl)methanamine

C10H15NOS — CID 121460240

IUPAC(S)-(5-methylfuran-2-yl)-(thiolan-2-yl)methanamine
SMILESCc1ccc([C@H](N)C2CCCS2)o1
InChIInChI=1S/C10H15NOS/c1-7-4-5-8(12-7)10(11)9-3-2-6-13-9/h4-5,9-10H,2-3,6,11H2,1H3/t9?,10-/m0/s1
InChIKeyKHYCIIOYNDMPIA-AXDSSHIGSA-N
MW197.30 g/mol
LogP2.48
Rot. Bonds2

About (S)-(5-methylfuran-2-yl)-(thiolan-2-yl)methanamine

(S)-(5-methylfuran-2-yl)-(thiolan-2-yl)methanamine (PubChem CID 121460240) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is (S)-(5-methylfuran-2-yl)-(thiolan-2-yl)methanamine.

Molecular Properties

Compound Name(S)-(5-methylfuran-2-yl)-(thiolan-2-yl)methanamine
PubChem CID121460240
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name(S)-(5-methylfuran-2-yl)-(thiolan-2-yl)methanamine
SMILESCc1ccc([C@H](N)C2CCCS2)o1
InChIInChI=1S/C10H15NOS/c1-7-4-5-8(12-7)10(11)9-3-2-6-13-9/h4-5,9-10H,2-3,6,11H2,1H3/t9?,10-/m0/s1
InChIKeyKHYCIIOYNDMPIA-AXDSSHIGSA-N
XLogP2.48
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-(5-methylfuran-2-yl)-(thiolan-2-yl)methanamine?
The IUPAC name of (S)-(5-methylfuran-2-yl)-(thiolan-2-yl)methanamine (CID 121460240) is (S)-(5-methylfuran-2-yl)-(thiolan-2-yl)methanamine.
What is the SMILES notation for (S)-(5-methylfuran-2-yl)-(thiolan-2-yl)methanamine?
The canonical SMILES for (S)-(5-methylfuran-2-yl)-(thiolan-2-yl)methanamine is Cc1ccc([C@H](N)C2CCCS2)o1.
What is the InChIKey of (S)-(5-methylfuran-2-yl)-(thiolan-2-yl)methanamine?
The InChIKey is KHYCIIOYNDMPIA-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7-4-5-8(12-7)10(11)9-3-2-6-13-9/h4-5,9-10H,2-3,6,11H2,1H3/t9?,10-/m0/s1.
What are the key properties of (S)-(5-methylfuran-2-yl)-(thiolan-2-yl)methanamine?
(S)-(5-methylfuran-2-yl)-(thiolan-2-yl)methanamine has a molecular weight of 197.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(5-methylfuran-2-yl)-(thiolan-2-yl)methanamine is sourced from PubChem (CID 121460240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).