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

C8H17NOS — CID 61337982

IUPAC[4-(ethylamino)thian-4-yl]methanol
SMILESCCNC1(CO)CCSCC1
InChIInChI=1S/C8H17NOS/c1-2-9-8(7-10)3-5-11-6-4-8/h9-10H,2-7H2,1H3
InChIKeyJDHUJKLRNADBGB-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.85
Rot. Bonds3

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

[4-(ethylamino)thian-4-yl]methanol (PubChem CID 61337982) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is [4-(ethylamino)thian-4-yl]methanol.

Molecular Properties

Compound Name[4-(ethylamino)thian-4-yl]methanol
PubChem CID61337982
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name[4-(ethylamino)thian-4-yl]methanol
SMILESCCNC1(CO)CCSCC1
InChIInChI=1S/C8H17NOS/c1-2-9-8(7-10)3-5-11-6-4-8/h9-10H,2-7H2,1H3
InChIKeyJDHUJKLRNADBGB-UHFFFAOYSA-N
XLogP0.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methylpropylamino)thian-4-yl]methanol
CID 61338166
[4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol
CID 61337984
[1-(ethylamino)-3,3-dimethylcyclopentyl]methanol
CID 80699366
N-[4-(hydroxymethyl)thian-4-yl]-3,3-dimethyl-2-oxobutanamide
CID 126818618
[1-(ethylamino)-3-methylsulfanylcyclopentyl]methanol
CID 79646857
[3-(methylamino)thian-3-yl]methanol
CID 62872215
2-[1-(ethylamino)cyclopentyl]ethanol
CID 64982680
[4-(4-bromoanilino)thian-4-yl]methanol
CID 61337584
2-[1-(ethylamino)cyclohexyl]ethanol
CID 64989011
[1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 61050703
[1-(ethylamino)-3-propoxycyclopentyl]methanol
CID 79644520
[3-(4-bromoanilino)thiolan-3-yl]methanol
CID 61050640

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)thian-4-yl]methanol?
The IUPAC name of [4-(ethylamino)thian-4-yl]methanol (CID 61337982) is [4-(ethylamino)thian-4-yl]methanol.
What is the SMILES notation for [4-(ethylamino)thian-4-yl]methanol?
The canonical SMILES for [4-(ethylamino)thian-4-yl]methanol is CCNC1(CO)CCSCC1.
What is the InChIKey of [4-(ethylamino)thian-4-yl]methanol?
The InChIKey is JDHUJKLRNADBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-2-9-8(7-10)3-5-11-6-4-8/h9-10H,2-7H2,1H3.
What are the key properties of [4-(ethylamino)thian-4-yl]methanol?
[4-(ethylamino)thian-4-yl]methanol has a molecular weight of 175.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)thian-4-yl]methanol is sourced from PubChem (CID 61337982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).