4-propan-2-yl-3-propylthiomorpholine

C10H21NS — CID 90765260

IUPAC4-propan-2-yl-3-propylthiomorpholine
SMILESCCCC1CSCCN1C(C)C
InChIInChI=1S/C10H21NS/c1-4-5-10-8-12-7-6-11(10)9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyVFIKESFNSFKZBV-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.61
Rot. Bonds3

About 4-propan-2-yl-3-propylthiomorpholine

4-propan-2-yl-3-propylthiomorpholine (PubChem CID 90765260) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 4-propan-2-yl-3-propylthiomorpholine.

Molecular Properties

Compound Name4-propan-2-yl-3-propylthiomorpholine
PubChem CID90765260
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name4-propan-2-yl-3-propylthiomorpholine
SMILESCCCC1CSCCN1C(C)C
InChIInChI=1S/C10H21NS/c1-4-5-10-8-12-7-6-11(10)9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyVFIKESFNSFKZBV-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3-propylthiomorpholine?
The IUPAC name of 4-propan-2-yl-3-propylthiomorpholine (CID 90765260) is 4-propan-2-yl-3-propylthiomorpholine.
What is the SMILES notation for 4-propan-2-yl-3-propylthiomorpholine?
The canonical SMILES for 4-propan-2-yl-3-propylthiomorpholine is CCCC1CSCCN1C(C)C.
What is the InChIKey of 4-propan-2-yl-3-propylthiomorpholine?
The InChIKey is VFIKESFNSFKZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-5-10-8-12-7-6-11(10)9(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-propan-2-yl-3-propylthiomorpholine?
4-propan-2-yl-3-propylthiomorpholine has a molecular weight of 187.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3-propylthiomorpholine is sourced from PubChem (CID 90765260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).