N,N-diethylthiolan-3-amine

C8H17NS — CID 130842170

IUPACN,N-diethylthiolan-3-amine
SMILESCCN(CC)C1CCSC1
InChIInChI=1S/C8H17NS/c1-3-9(4-2)8-5-6-10-7-8/h8H,3-7H2,1-2H3
InChIKeyZGZNSCQGFDRIAY-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds3

About N,N-diethylthiolan-3-amine

N,N-diethylthiolan-3-amine (PubChem CID 130842170) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N,N-diethylthiolan-3-amine.

Molecular Properties

Compound NameN,N-diethylthiolan-3-amine
PubChem CID130842170
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN,N-diethylthiolan-3-amine
SMILESCCN(CC)C1CCSC1
InChIInChI=1S/C8H17NS/c1-3-9(4-2)8-5-6-10-7-8/h8H,3-7H2,1-2H3
InChIKeyZGZNSCQGFDRIAY-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(Methylsulfanyl)ethyl]bis(propan-2-yl)amine
CID 13829095
2-Diisopropylaminoethyl ethyl sulfide
CID 517942
Butyl 2-diethylaminoethyl sulfide
CID 85979176
1-Ethyl-4-(tetrahydro-3-thienyl)piperazine
CID 3838410
Isopropyl 2-diisopropylaminoethyl sulfide
CID 13829096
N,N-dimethyl-3-methylsulfanylbutan-2-amine
CID 13481474
2,2,5-Trimethyl-3-ethylthiazolidine
CID 12654790
3-(3-Butylsulfanylpropyl)-1,3-thiazolidine
CID 3038843
N-[(1-fluorocyclopropyl)methyl]-N-methylthiolan-3-amine
CID 130703036
1-Methyl-4-(tetrahydro-3-thienyl)piperazine
CID 2849469
Dimethyl-[3-(propylthio)propyl]amine
CID 546906
3-Butyl-2-ethyl-1,3-thiazolidine
CID 13356757

Frequently Asked Questions

What is the IUPAC name of N,N-diethylthiolan-3-amine?
The IUPAC name of N,N-diethylthiolan-3-amine (CID 130842170) is N,N-diethylthiolan-3-amine.
What is the SMILES notation for N,N-diethylthiolan-3-amine?
The canonical SMILES for N,N-diethylthiolan-3-amine is CCN(CC)C1CCSC1.
What is the InChIKey of N,N-diethylthiolan-3-amine?
The InChIKey is ZGZNSCQGFDRIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-3-9(4-2)8-5-6-10-7-8/h8H,3-7H2,1-2H3.
What are the key properties of N,N-diethylthiolan-3-amine?
N,N-diethylthiolan-3-amine has a molecular weight of 159.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylthiolan-3-amine is sourced from PubChem (CID 130842170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).