ethane;N-(thian-3-ylmethyl)propan-2-amine

C11H25NS — CID 142953116

IUPACethane;N-(thian-3-ylmethyl)propan-2-amine
SMILESCC.CC(C)NCC1CCCSC1
InChIInChI=1S/C9H19NS.C2H6/c1-8(2)10-6-9-4-3-5-11-7-9;1-2/h8-10H,3-7H2,1-2H3;1-2H3
InChIKeyJYPOZAVJAWNXEU-UHFFFAOYSA-N
MW203.40 g/mol
LogP3.15
Rot. Bonds3

About ethane;N-(thian-3-ylmethyl)propan-2-amine

ethane;N-(thian-3-ylmethyl)propan-2-amine (PubChem CID 142953116) has the molecular formula C11H25NS and a molecular weight of 203.40 g/mol. Its IUPAC name is ethane;N-(thian-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Nameethane;N-(thian-3-ylmethyl)propan-2-amine
PubChem CID142953116
Molecular FormulaC11H25NS
Molecular Weight203.40 g/mol
Exact Mass203.17
IUPAC Nameethane;N-(thian-3-ylmethyl)propan-2-amine
SMILESCC.CC(C)NCC1CCCSC1
InChIInChI=1S/C9H19NS.C2H6/c1-8(2)10-6-9-4-3-5-11-7-9;1-2/h8-10H,3-7H2,1-2H3;1-2H3
InChIKeyJYPOZAVJAWNXEU-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(thian-3-ylmethyl)propan-2-amine?
The IUPAC name of ethane;N-(thian-3-ylmethyl)propan-2-amine (CID 142953116) is ethane;N-(thian-3-ylmethyl)propan-2-amine.
What is the SMILES notation for ethane;N-(thian-3-ylmethyl)propan-2-amine?
The canonical SMILES for ethane;N-(thian-3-ylmethyl)propan-2-amine is CC.CC(C)NCC1CCCSC1.
What is the InChIKey of ethane;N-(thian-3-ylmethyl)propan-2-amine?
The InChIKey is JYPOZAVJAWNXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS.C2H6/c1-8(2)10-6-9-4-3-5-11-7-9;1-2/h8-10H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;N-(thian-3-ylmethyl)propan-2-amine?
ethane;N-(thian-3-ylmethyl)propan-2-amine has a molecular weight of 203.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(thian-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 142953116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).