[4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol

C10H22N2OS — CID 61337984

IUPAC[4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol
SMILESCN(C)CCNC1(CO)CCSCC1
InChIInChI=1S/C10H22N2OS/c1-12(2)6-5-11-10(9-13)3-7-14-8-4-10/h11,13H,3-9H2,1-2H3
InChIKeyBVCUXGZLPSDWML-UHFFFAOYSA-N
MW218.37 g/mol
LogP0.40
Rot. Bonds5

About [4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol

[4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol (PubChem CID 61337984) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol
PubChem CID61337984
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name[4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol
SMILESCN(C)CCNC1(CO)CCSCC1
InChIInChI=1S/C10H22N2OS/c1-12(2)6-5-11-10(9-13)3-7-14-8-4-10/h11,13H,3-9H2,1-2H3
InChIKeyBVCUXGZLPSDWML-UHFFFAOYSA-N
XLogP0.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(ethylamino)thian-4-yl]methanol
CID 61337982
[1-[3-(dimethylamino)propylamino]cyclobutyl]methanol
CID 114525313
[4-(2-methylpropylamino)thian-4-yl]methanol
CID 61338166
N-[1-(aminomethyl)cyclobutyl]-N',N'-dimethylethane-1,2-diamine
CID 79520919
[1-[2-(dimethylamino)ethylamino]-2,2-dimethylcyclohexyl]methanol
CID 79852600
4-[2-(dimethylamino)ethyl]thian-4-ol
CID 84732964
2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid
CID 107142240
[1-[2-(dimethylamino)ethyl]cyclopropyl]methanol
CID 130950587
N-[4-(hydroxymethyl)thian-4-yl]-3,3-dimethyl-2-oxobutanamide
CID 126818618
[4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol
CID 65080769
[3-[2-(diethylamino)ethylamino]-5,5-dimethylthian-3-yl]methanol
CID 79946833
N-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine
CID 103562986

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol?
The IUPAC name of [4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol (CID 61337984) is [4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol.
What is the SMILES notation for [4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol?
The canonical SMILES for [4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol is CN(C)CCNC1(CO)CCSCC1.
What is the InChIKey of [4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol?
The InChIKey is BVCUXGZLPSDWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-12(2)6-5-11-10(9-13)3-7-14-8-4-10/h11,13H,3-9H2,1-2H3.
What are the key properties of [4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol?
[4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol has a molecular weight of 218.37 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol is sourced from PubChem (CID 61337984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).