2-(3-tert-butylthiolan-3-yl)ethanamine

C10H21NS — CID 83817750

IUPAC2-(3-tert-butylthiolan-3-yl)ethanamine
SMILESCC(C)(C)C1(CCN)CCSC1
InChIInChI=1S/C10H21NS/c1-9(2,3)10(4-6-11)5-7-12-8-10/h4-8,11H2,1-3H3
InChIKeyHADMVVYSVSGITM-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.50
Rot. Bonds2

About 2-(3-tert-butylthiolan-3-yl)ethanamine

2-(3-tert-butylthiolan-3-yl)ethanamine (PubChem CID 83817750) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-(3-tert-butylthiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butylthiolan-3-yl)ethanamine
PubChem CID83817750
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-(3-tert-butylthiolan-3-yl)ethanamine
SMILESCC(C)(C)C1(CCN)CCSC1
InChIInChI=1S/C10H21NS/c1-9(2,3)10(4-6-11)5-7-12-8-10/h4-8,11H2,1-3H3
InChIKeyHADMVVYSVSGITM-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(2-methylpropan-2-yl)oxy]thiolan-3-yl]ethanamine
CID 115023208
(3S)-3-tert-butyl-3-ethylthiane
CID 89291770
2-[3-(2-aminopropan-2-yl)thiolan-3-yl]acetic acid
CID 66089316
2-(3-tert-butyloxan-3-yl)ethanamine
CID 83817500
2-(4-cyclopropylthian-4-yl)ethanamine
CID 83817513
2-(4-ethoxythian-4-yl)ethanamine
CID 105443962
2-[3-(2-methylphenyl)thiolan-3-yl]ethanamine
CID 83822696
4,4-ditert-butylthiane
CID 22953096
2-[3-(fluoromethyl)thian-3-yl]ethanamine
CID 115015000
2-(4-propan-2-yloxythian-4-yl)ethanamine
CID 115023207
2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine
CID 23339573
2-[3-(2-aminopropan-2-yl)thian-3-yl]acetic acid
CID 66089784

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylthiolan-3-yl)ethanamine?
The IUPAC name of 2-(3-tert-butylthiolan-3-yl)ethanamine (CID 83817750) is 2-(3-tert-butylthiolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-tert-butylthiolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-tert-butylthiolan-3-yl)ethanamine is CC(C)(C)C1(CCN)CCSC1.
What is the InChIKey of 2-(3-tert-butylthiolan-3-yl)ethanamine?
The InChIKey is HADMVVYSVSGITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-9(2,3)10(4-6-11)5-7-12-8-10/h4-8,11H2,1-3H3.
What are the key properties of 2-(3-tert-butylthiolan-3-yl)ethanamine?
2-(3-tert-butylthiolan-3-yl)ethanamine has a molecular weight of 187.35 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylthiolan-3-yl)ethanamine is sourced from PubChem (CID 83817750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).