1,4,8,11-tetrathiacyclotetradecan-6-amine

C10H21NS4 — CID 100983917

IUPAC1,4,8,11-tetrathiacyclotetradecan-6-amine
SMILESNC1CSCCSCCCSCCSC1
InChIInChI=1S/C10H21NS4/c11-10-8-14-6-4-12-2-1-3-13-5-7-15-9-10/h10H,1-9,11H2
InChIKeyRXYQNZHVYZFGDI-UHFFFAOYSA-N
MW283.55 g/mol
LogP2.65
Rot. Bonds

About 1,4,8,11-tetrathiacyclotetradecan-6-amine

1,4,8,11-tetrathiacyclotetradecan-6-amine (PubChem CID 100983917) has the molecular formula C10H21NS4 and a molecular weight of 283.55 g/mol. Its IUPAC name is 1,4,8,11-tetrathiacyclotetradecan-6-amine.

Molecular Properties

Compound Name1,4,8,11-tetrathiacyclotetradecan-6-amine
PubChem CID100983917
Molecular FormulaC10H21NS4
Molecular Weight283.55 g/mol
Exact Mass283.06
IUPAC Name1,4,8,11-tetrathiacyclotetradecan-6-amine
SMILESNC1CSCCSCCCSCCSC1
InChIInChI=1S/C10H21NS4/c11-10-8-14-6-4-12-2-1-3-13-5-7-15-9-10/h10H,1-9,11H2
InChIKeyRXYQNZHVYZFGDI-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.55
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,4,8,11-tetrathiacyclotetradecan-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

thiepan-3-amine
CID 14594138
1,5-dithiocane
CID 5259509
1,4,8-trithiacyclotetradecane
CID 21459618
1,3,6,10-tetrathiacyclododecane
CID 14957852
thiane;thietane;thiirane;thiolane
CID 161072943
thiane-3,5-diamine
CID 156770129
thiohydroxylamine;thiolane
CID 164525023
1,2,6,10,11,15-hexathiacyclooctadecane
CID 12691715
lithium;hydride;thiane
CID 173428733
thian-3-ylmethanesulfonamide
CID 115020407
1-(thian-3-yl)piperidin-4-amine
CID 62873303
thiacyclotridecane
CID 12543972

Frequently Asked Questions

What is the IUPAC name of 1,4,8,11-tetrathiacyclotetradecan-6-amine?
The IUPAC name of 1,4,8,11-tetrathiacyclotetradecan-6-amine (CID 100983917) is 1,4,8,11-tetrathiacyclotetradecan-6-amine.
What is the SMILES notation for 1,4,8,11-tetrathiacyclotetradecan-6-amine?
The canonical SMILES for 1,4,8,11-tetrathiacyclotetradecan-6-amine is NC1CSCCSCCCSCCSC1.
What is the InChIKey of 1,4,8,11-tetrathiacyclotetradecan-6-amine?
The InChIKey is RXYQNZHVYZFGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS4/c11-10-8-14-6-4-12-2-1-3-13-5-7-15-9-10/h10H,1-9,11H2.
What are the key properties of 1,4,8,11-tetrathiacyclotetradecan-6-amine?
1,4,8,11-tetrathiacyclotetradecan-6-amine has a molecular weight of 283.55 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8,11-tetrathiacyclotetradecan-6-amine is sourced from PubChem (CID 100983917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).