N',2,2-trimethyl-N'-(thiolan-3-yl)propane-1,3-diamine

C10H22N2S — CID 62262574

IUPACN',2,2-trimethyl-N'-(thiolan-3-yl)propane-1,3-diamine
SMILESCN(CC(C)(C)CN)C1CCSC1
InChIInChI=1S/C10H22N2S/c1-10(2,7-11)8-12(3)9-4-5-13-6-9/h9H,4-8,11H2,1-3H3
InChIKeyGWJROWNXBGCXNN-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.41
Rot. Bonds4

About N',2,2-trimethyl-N'-(thiolan-3-yl)propane-1,3-diamine

N',2,2-trimethyl-N'-(thiolan-3-yl)propane-1,3-diamine (PubChem CID 62262574) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(thiolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(thiolan-3-yl)propane-1,3-diamine
PubChem CID62262574
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC NameN',2,2-trimethyl-N'-(thiolan-3-yl)propane-1,3-diamine
SMILESCN(CC(C)(C)CN)C1CCSC1
InChIInChI=1S/C10H22N2S/c1-10(2,7-11)8-12(3)9-4-5-13-6-9/h9H,4-8,11H2,1-3H3
InChIKeyGWJROWNXBGCXNN-UHFFFAOYSA-N
XLogP1.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(thiolan-3-yl)propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-(thiolan-3-yl)propane-1,3-diamine (CID 62262574) is N',2,2-trimethyl-N'-(thiolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-(thiolan-3-yl)propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-(thiolan-3-yl)propane-1,3-diamine is CN(CC(C)(C)CN)C1CCSC1.
What is the InChIKey of N',2,2-trimethyl-N'-(thiolan-3-yl)propane-1,3-diamine?
The InChIKey is GWJROWNXBGCXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-10(2,7-11)8-12(3)9-4-5-13-6-9/h9H,4-8,11H2,1-3H3.
What are the key properties of N',2,2-trimethyl-N'-(thiolan-3-yl)propane-1,3-diamine?
N',2,2-trimethyl-N'-(thiolan-3-yl)propane-1,3-diamine has a molecular weight of 202.37 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-(thiolan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 62262574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).