(5R)-N-ethyl-5-(2-methylpropyl)thiolan-3-amine

C10H21NS — CID 54471029

IUPAC(5R)-N-ethyl-5-(2-methylpropyl)thiolan-3-amine
SMILESCCNC1CS[C@H](CC(C)C)C1
InChIInChI=1S/C10H21NS/c1-4-11-9-6-10(12-7-9)5-8(2)3/h8-11H,4-7H2,1-3H3/t9?,10-/m1/s1
InChIKeyXIJFZOIKWZAIST-QVDQXJPCSA-N
MW187.35 g/mol
LogP2.52
Rot. Bonds4

About (5R)-N-ethyl-5-(2-methylpropyl)thiolan-3-amine

(5R)-N-ethyl-5-(2-methylpropyl)thiolan-3-amine (PubChem CID 54471029) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (5R)-N-ethyl-5-(2-methylpropyl)thiolan-3-amine.

Molecular Properties

Compound Name(5R)-N-ethyl-5-(2-methylpropyl)thiolan-3-amine
PubChem CID54471029
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(5R)-N-ethyl-5-(2-methylpropyl)thiolan-3-amine
SMILESCCNC1CS[C@H](CC(C)C)C1
InChIInChI=1S/C10H21NS/c1-4-11-9-6-10(12-7-9)5-8(2)3/h8-11H,4-7H2,1-3H3/t9?,10-/m1/s1
InChIKeyXIJFZOIKWZAIST-QVDQXJPCSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-ethyl-5-(2-methylpropyl)thiolan-3-amine?
The IUPAC name of (5R)-N-ethyl-5-(2-methylpropyl)thiolan-3-amine (CID 54471029) is (5R)-N-ethyl-5-(2-methylpropyl)thiolan-3-amine.
What is the SMILES notation for (5R)-N-ethyl-5-(2-methylpropyl)thiolan-3-amine?
The canonical SMILES for (5R)-N-ethyl-5-(2-methylpropyl)thiolan-3-amine is CCNC1CS[C@H](CC(C)C)C1.
What is the InChIKey of (5R)-N-ethyl-5-(2-methylpropyl)thiolan-3-amine?
The InChIKey is XIJFZOIKWZAIST-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-11-9-6-10(12-7-9)5-8(2)3/h8-11H,4-7H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of (5R)-N-ethyl-5-(2-methylpropyl)thiolan-3-amine?
(5R)-N-ethyl-5-(2-methylpropyl)thiolan-3-amine has a molecular weight of 187.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-ethyl-5-(2-methylpropyl)thiolan-3-amine is sourced from PubChem (CID 54471029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).