[3-[2-(diethylamino)ethylamino]-5,5-dimethylthian-3-yl]methanol

C14H30N2OS — CID 79946833

IUPAC[3-[2-(diethylamino)ethylamino]-5,5-dimethylthian-3-yl]methanol
SMILESCCN(CC)CCNC1(CO)CSCC(C)(C)C1
InChIInChI=1S/C14H30N2OS/c1-5-16(6-2)8-7-15-14(10-17)9-13(3,4)11-18-12-14/h15,17H,5-12H2,1-4H3
InChIKeyORZQHHZWXWGCPG-UHFFFAOYSA-N
MW274.47 g/mol
LogP1.81
Rot. Bonds7

About [3-[2-(diethylamino)ethylamino]-5,5-dimethylthian-3-yl]methanol

[3-[2-(diethylamino)ethylamino]-5,5-dimethylthian-3-yl]methanol (PubChem CID 79946833) has the molecular formula C14H30N2OS and a molecular weight of 274.47 g/mol. Its IUPAC name is [3-[2-(diethylamino)ethylamino]-5,5-dimethylthian-3-yl]methanol.

Molecular Properties

Compound Name[3-[2-(diethylamino)ethylamino]-5,5-dimethylthian-3-yl]methanol
PubChem CID79946833
Molecular FormulaC14H30N2OS
Molecular Weight274.47 g/mol
Exact Mass274.21
IUPAC Name[3-[2-(diethylamino)ethylamino]-5,5-dimethylthian-3-yl]methanol
SMILESCCN(CC)CCNC1(CO)CSCC(C)(C)C1
InChIInChI=1S/C14H30N2OS/c1-5-16(6-2)8-7-15-14(10-17)9-13(3,4)11-18-12-14/h15,17H,5-12H2,1-4H3
InChIKeyORZQHHZWXWGCPG-UHFFFAOYSA-N
XLogP1.81
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(diethylamino)ethylamino]-3-methylcyclobutyl]methanol
CID 103564776
N-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 65383357
[4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol
CID 65080769
[4-[2-(diethylamino)ethylamino]-1-ethylazepan-4-yl]methanol
CID 65076740
[1-[2-(diethylamino)ethylamino]-2,2-dimethylcyclopentyl]methanol
CID 79863280
[1-(ethylamino)-3,3-dimethylcyclopentyl]methanol
CID 80699366
5,5-dimethyl-3-(propylamino)thiane-3-carboxylic acid
CID 79946338
[3-(3-bromoanilino)-5,5-dimethylthian-3-yl]methanol
CID 79947200
[4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol
CID 61337984
1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid
CID 62389636
[1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol
CID 61049623
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 65383770

Frequently Asked Questions

What is the IUPAC name of [3-[2-(diethylamino)ethylamino]-5,5-dimethylthian-3-yl]methanol?
The IUPAC name of [3-[2-(diethylamino)ethylamino]-5,5-dimethylthian-3-yl]methanol (CID 79946833) is [3-[2-(diethylamino)ethylamino]-5,5-dimethylthian-3-yl]methanol.
What is the SMILES notation for [3-[2-(diethylamino)ethylamino]-5,5-dimethylthian-3-yl]methanol?
The canonical SMILES for [3-[2-(diethylamino)ethylamino]-5,5-dimethylthian-3-yl]methanol is CCN(CC)CCNC1(CO)CSCC(C)(C)C1.
What is the InChIKey of [3-[2-(diethylamino)ethylamino]-5,5-dimethylthian-3-yl]methanol?
The InChIKey is ORZQHHZWXWGCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2OS/c1-5-16(6-2)8-7-15-14(10-17)9-13(3,4)11-18-12-14/h15,17H,5-12H2,1-4H3.
What are the key properties of [3-[2-(diethylamino)ethylamino]-5,5-dimethylthian-3-yl]methanol?
[3-[2-(diethylamino)ethylamino]-5,5-dimethylthian-3-yl]methanol has a molecular weight of 274.47 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(diethylamino)ethylamino]-5,5-dimethylthian-3-yl]methanol is sourced from PubChem (CID 79946833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).