1-(diethylamino)-3-(thiolan-3-ylmethylamino)propan-2-ol

C12H26N2OS — CID 107295767

IUPAC1-(diethylamino)-3-(thiolan-3-ylmethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNCC1CCSC1
InChIInChI=1S/C12H26N2OS/c1-3-14(4-2)9-12(15)8-13-7-11-5-6-16-10-11/h11-13,15H,3-10H2,1-2H3
InChIKeyBVRNCCUTHLOCPL-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.03
Rot. Bonds8

About 1-(diethylamino)-3-(thiolan-3-ylmethylamino)propan-2-ol

1-(diethylamino)-3-(thiolan-3-ylmethylamino)propan-2-ol (PubChem CID 107295767) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 1-(diethylamino)-3-(thiolan-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-(thiolan-3-ylmethylamino)propan-2-ol
PubChem CID107295767
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name1-(diethylamino)-3-(thiolan-3-ylmethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNCC1CCSC1
InChIInChI=1S/C12H26N2OS/c1-3-14(4-2)9-12(15)8-13-7-11-5-6-16-10-11/h11-13,15H,3-10H2,1-2H3
InChIKeyBVRNCCUTHLOCPL-UHFFFAOYSA-N
XLogP1.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]cyclohexan-1-ol
CID 106132935
1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107166431
1-(2-ethylcyclohexyl)oxy-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107295879
1-(diethylamino)-3-(oxan-2-ylmethylamino)propan-2-ol
CID 55014004
3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107131174
1-morpholin-4-yl-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107295723
methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate
CID 107295831
5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine
CID 107132315
1-(4-fluorophenoxy)-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107166000
2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131923
1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226974
1-ethyl-1-methyl-3-(thiolan-3-ylmethyl)urea
CID 107295561

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(thiolan-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-(thiolan-3-ylmethylamino)propan-2-ol (CID 107295767) is 1-(diethylamino)-3-(thiolan-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-(thiolan-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-(thiolan-3-ylmethylamino)propan-2-ol is CCN(CC)CC(O)CNCC1CCSC1.
What is the InChIKey of 1-(diethylamino)-3-(thiolan-3-ylmethylamino)propan-2-ol?
The InChIKey is BVRNCCUTHLOCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-3-14(4-2)9-12(15)8-13-7-11-5-6-16-10-11/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 1-(diethylamino)-3-(thiolan-3-ylmethylamino)propan-2-ol?
1-(diethylamino)-3-(thiolan-3-ylmethylamino)propan-2-ol has a molecular weight of 246.42 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-(thiolan-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 107295767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).