ethane;1-(6-methylthian-2-yl)propan-2-amine

C11H25NS — CID 176567231

IUPACethane;1-(6-methylthian-2-yl)propan-2-amine
SMILESCC.CC(N)CC1CCCC(C)S1
InChIInChI=1S/C9H19NS.C2H6/c1-7(10)6-9-5-3-4-8(2)11-9;1-2/h7-9H,3-6,10H2,1-2H3;1-2H3
InChIKeyWTQDXXJZGHKOHR-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.42
Rot. Bonds2

About ethane;1-(6-methylthian-2-yl)propan-2-amine

ethane;1-(6-methylthian-2-yl)propan-2-amine (PubChem CID 176567231) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is ethane;1-(6-methylthian-2-yl)propan-2-amine.

Molecular Properties

Compound Nameethane;1-(6-methylthian-2-yl)propan-2-amine
PubChem CID176567231
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Nameethane;1-(6-methylthian-2-yl)propan-2-amine
SMILESCC.CC(N)CC1CCCC(C)S1
InChIInChI=1S/C9H19NS.C2H6/c1-7(10)6-9-5-3-4-8(2)11-9;1-2/h7-9H,3-6,10H2,1-2H3;1-2H3
InChIKeyWTQDXXJZGHKOHR-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(6-methylthian-2-yl)propan-2-amine?
The IUPAC name of ethane;1-(6-methylthian-2-yl)propan-2-amine (CID 176567231) is ethane;1-(6-methylthian-2-yl)propan-2-amine.
What is the SMILES notation for ethane;1-(6-methylthian-2-yl)propan-2-amine?
The canonical SMILES for ethane;1-(6-methylthian-2-yl)propan-2-amine is CC.CC(N)CC1CCCC(C)S1.
What is the InChIKey of ethane;1-(6-methylthian-2-yl)propan-2-amine?
The InChIKey is WTQDXXJZGHKOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS.C2H6/c1-7(10)6-9-5-3-4-8(2)11-9;1-2/h7-9H,3-6,10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(6-methylthian-2-yl)propan-2-amine?
ethane;1-(6-methylthian-2-yl)propan-2-amine has a molecular weight of 203.39 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(6-methylthian-2-yl)propan-2-amine is sourced from PubChem (CID 176567231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).