3-[(thian-3-ylamino)methyl]pentan-3-ol

C11H23NOS — CID 65105822

IUPAC3-[(thian-3-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CCCSC1
InChIInChI=1S/C11H23NOS/c1-3-11(13,4-2)9-12-10-6-5-7-14-8-10/h10,12-13H,3-9H2,1-2H3
InChIKeyGJNTZTJOYMYYBP-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.02
Rot. Bonds5

About 3-[(thian-3-ylamino)methyl]pentan-3-ol

3-[(thian-3-ylamino)methyl]pentan-3-ol (PubChem CID 65105822) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-[(thian-3-ylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(thian-3-ylamino)methyl]pentan-3-ol
PubChem CID65105822
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name3-[(thian-3-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CCCSC1
InChIInChI=1S/C11H23NOS/c1-3-11(13,4-2)9-12-10-6-5-7-14-8-10/h10,12-13H,3-9H2,1-2H3
InChIKeyGJNTZTJOYMYYBP-UHFFFAOYSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(thian-3-ylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(thian-3-ylamino)methyl]pentan-3-ol (CID 65105822) is 3-[(thian-3-ylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(thian-3-ylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(thian-3-ylamino)methyl]pentan-3-ol is CCC(O)(CC)CNC1CCCSC1.
What is the InChIKey of 3-[(thian-3-ylamino)methyl]pentan-3-ol?
The InChIKey is GJNTZTJOYMYYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-3-11(13,4-2)9-12-10-6-5-7-14-8-10/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 3-[(thian-3-ylamino)methyl]pentan-3-ol?
3-[(thian-3-ylamino)methyl]pentan-3-ol has a molecular weight of 217.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(thian-3-ylamino)methyl]pentan-3-ol is sourced from PubChem (CID 65105822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).