N,N,N'-trimethyl-N'-[(3R)-thiolan-3-yl]ethane-1,2-diamine

C9H20N2S — CID 31196439

IUPACN,N,N'-trimethyl-N'-[(3R)-thiolan-3-yl]ethane-1,2-diamine
SMILESCN(C)CCN(C)[C@@H]1CCSC1
InChIInChI=1S/C9H20N2S/c1-10(2)5-6-11(3)9-4-7-12-8-9/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyMHEFUSLDOIOQKY-SECBINFHSA-N
MW188.34 g/mol
LogP0.99
Rot. Bonds4

About N,N,N'-trimethyl-N'-[(3R)-thiolan-3-yl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[(3R)-thiolan-3-yl]ethane-1,2-diamine (PubChem CID 31196439) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(3R)-thiolan-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(3R)-thiolan-3-yl]ethane-1,2-diamine
PubChem CID31196439
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC NameN,N,N'-trimethyl-N'-[(3R)-thiolan-3-yl]ethane-1,2-diamine
SMILESCN(C)CCN(C)[C@@H]1CCSC1
InChIInChI=1S/C9H20N2S/c1-10(2)5-6-11(3)9-4-7-12-8-9/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyMHEFUSLDOIOQKY-SECBINFHSA-N
XLogP0.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[(3R)-thiolan-3-yl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(3R)-thiolan-3-yl]ethane-1,2-diamine (CID 31196439) is N,N,N'-trimethyl-N'-[(3R)-thiolan-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[(3R)-thiolan-3-yl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[(3R)-thiolan-3-yl]ethane-1,2-diamine is CN(C)CCN(C)[C@@H]1CCSC1.
What is the InChIKey of N,N,N'-trimethyl-N'-[(3R)-thiolan-3-yl]ethane-1,2-diamine?
The InChIKey is MHEFUSLDOIOQKY-SECBINFHSA-N. The full InChI is InChI=1S/C9H20N2S/c1-10(2)5-6-11(3)9-4-7-12-8-9/h9H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of N,N,N'-trimethyl-N'-[(3R)-thiolan-3-yl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[(3R)-thiolan-3-yl]ethane-1,2-diamine has a molecular weight of 188.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[(3R)-thiolan-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 31196439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).