3-(diethylaminomethyl)thian-3-ol

C10H21NOS — CID 84734001

IUPAC3-(diethylaminomethyl)thian-3-ol
SMILESCCN(CC)CC1(O)CCCSC1
InChIInChI=1S/C10H21NOS/c1-3-11(4-2)8-10(12)6-5-7-13-9-10/h12H,3-9H2,1-2H3
InChIKeyXNPGRVVFTFWEKK-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.59
Rot. Bonds4

About 3-(diethylaminomethyl)thian-3-ol

3-(diethylaminomethyl)thian-3-ol (PubChem CID 84734001) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-(diethylaminomethyl)thian-3-ol.

Molecular Properties

Compound Name3-(diethylaminomethyl)thian-3-ol
PubChem CID84734001
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-(diethylaminomethyl)thian-3-ol
SMILESCCN(CC)CC1(O)CCCSC1
InChIInChI=1S/C10H21NOS/c1-3-11(4-2)8-10(12)6-5-7-13-9-10/h12H,3-9H2,1-2H3
InChIKeyXNPGRVVFTFWEKK-UHFFFAOYSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol
CID 116617494
2-Methyl-1-thiomorpholin-4-ylpentan-2-ol
CID 69729823
2-Methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-2-ol
CID 130490428
(3S)-3-methyl-1-[1-(thietan-2-yl)ethyl]piperidin-3-ol
CID 156168274
(3R)-3-[(dimethylamino)methyl]-1-(1-methylsulfanylethyl)piperidin-3-ol
CID 169692452
4-Methyl-1-thiomorpholin-4-ylpentan-2-ol
CID 172588646
(2R)-4-methyl-1-thiomorpholin-4-ylpentan-2-ol
CID 172588753
3-[(Propan-2-ylamino)methyl]thian-3-ol
CID 177955386
(3R)-1-ethyl-3-(thiomorpholin-4-ylmethyl)piperidin-3-ol
CID 52105409
(3S)-1-ethyl-3-(thiomorpholin-4-ylmethyl)piperidin-3-ol
CID 52105411
(3R)-1-methyl-3-(thiomorpholin-4-ylmethyl)piperidin-3-ol
CID 52233387
(3S)-1-methyl-3-(thiomorpholin-4-ylmethyl)piperidin-3-ol
CID 52233389

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)thian-3-ol?
The IUPAC name of 3-(diethylaminomethyl)thian-3-ol (CID 84734001) is 3-(diethylaminomethyl)thian-3-ol.
What is the SMILES notation for 3-(diethylaminomethyl)thian-3-ol?
The canonical SMILES for 3-(diethylaminomethyl)thian-3-ol is CCN(CC)CC1(O)CCCSC1.
What is the InChIKey of 3-(diethylaminomethyl)thian-3-ol?
The InChIKey is XNPGRVVFTFWEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-11(4-2)8-10(12)6-5-7-13-9-10/h12H,3-9H2,1-2H3.
What are the key properties of 3-(diethylaminomethyl)thian-3-ol?
3-(diethylaminomethyl)thian-3-ol has a molecular weight of 203.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)thian-3-ol is sourced from PubChem (CID 84734001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).