3-[(dimethylamino)methyl]thiolan-3-ol

C7H15NOS — CID 84731513

IUPAC3-[(dimethylamino)methyl]thiolan-3-ol
SMILESCN(C)CC1(O)CCSC1
InChIInChI=1S/C7H15NOS/c1-8(2)5-7(9)3-4-10-6-7/h9H,3-6H2,1-2H3
InChIKeyRPWIGSADNHPKRV-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.42
Rot. Bonds2

About 3-[(dimethylamino)methyl]thiolan-3-ol

3-[(dimethylamino)methyl]thiolan-3-ol (PubChem CID 84731513) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]thiolan-3-ol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]thiolan-3-ol
PubChem CID84731513
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name3-[(dimethylamino)methyl]thiolan-3-ol
SMILESCN(C)CC1(O)CCSC1
InChIInChI=1S/C7H15NOS/c1-8(2)5-7(9)3-4-10-6-7/h9H,3-6H2,1-2H3
InChIKeyRPWIGSADNHPKRV-UHFFFAOYSA-N
XLogP0.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]thiolan-3-ol?
The IUPAC name of 3-[(dimethylamino)methyl]thiolan-3-ol (CID 84731513) is 3-[(dimethylamino)methyl]thiolan-3-ol.
What is the SMILES notation for 3-[(dimethylamino)methyl]thiolan-3-ol?
The canonical SMILES for 3-[(dimethylamino)methyl]thiolan-3-ol is CN(C)CC1(O)CCSC1.
What is the InChIKey of 3-[(dimethylamino)methyl]thiolan-3-ol?
The InChIKey is RPWIGSADNHPKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-8(2)5-7(9)3-4-10-6-7/h9H,3-6H2,1-2H3.
What are the key properties of 3-[(dimethylamino)methyl]thiolan-3-ol?
3-[(dimethylamino)methyl]thiolan-3-ol has a molecular weight of 161.27 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]thiolan-3-ol is sourced from PubChem (CID 84731513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).