N-(1-ethoxypropan-2-yl)-2,2-dimethylthietan-3-amine

C10H21NOS — CID 135392788

IUPACN-(1-ethoxypropan-2-yl)-2,2-dimethylthietan-3-amine
SMILESCCOCC(C)NC1CSC1(C)C
InChIInChI=1S/C10H21NOS/c1-5-12-6-8(2)11-9-7-13-10(9,3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyQWTRXIKTDKEQKM-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.89
Rot. Bonds5

About N-(1-ethoxypropan-2-yl)-2,2-dimethylthietan-3-amine

N-(1-ethoxypropan-2-yl)-2,2-dimethylthietan-3-amine (PubChem CID 135392788) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-2,2-dimethylthietan-3-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-2,2-dimethylthietan-3-amine
PubChem CID135392788
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-(1-ethoxypropan-2-yl)-2,2-dimethylthietan-3-amine
SMILESCCOCC(C)NC1CSC1(C)C
InChIInChI=1S/C10H21NOS/c1-5-12-6-8(2)11-9-7-13-10(9,3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyQWTRXIKTDKEQKM-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-2,2-dimethylthietan-3-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-2,2-dimethylthietan-3-amine (CID 135392788) is N-(1-ethoxypropan-2-yl)-2,2-dimethylthietan-3-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-2,2-dimethylthietan-3-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-2,2-dimethylthietan-3-amine is CCOCC(C)NC1CSC1(C)C.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-2,2-dimethylthietan-3-amine?
The InChIKey is QWTRXIKTDKEQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-5-12-6-8(2)11-9-7-13-10(9,3)4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-2,2-dimethylthietan-3-amine?
N-(1-ethoxypropan-2-yl)-2,2-dimethylthietan-3-amine has a molecular weight of 203.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-2,2-dimethylthietan-3-amine is sourced from PubChem (CID 135392788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).