sulfane;(4S)-N,2,2,6-tetramethylheptan-4-amine

C11H27NS — CID 161290387

IUPACsulfane;(4S)-N,2,2,6-tetramethylheptan-4-amine
SMILESCN[C@@H](CC(C)C)CC(C)(C)C.S
InChIInChI=1S/C11H25N.H2S/c1-9(2)7-10(12-6)8-11(3,4)5;/h9-10,12H,7-8H2,1-6H3;1H2/t10-;/m0./s1
InChIKeyVGGPQLKIPGCYKD-PPHPATTJSA-N
MW205.41 g/mol
LogP3.17
Rot. Bonds4

About sulfane;(4S)-N,2,2,6-tetramethylheptan-4-amine

sulfane;(4S)-N,2,2,6-tetramethylheptan-4-amine (PubChem CID 161290387) has the molecular formula C11H27NS and a molecular weight of 205.41 g/mol. Its IUPAC name is sulfane;(4S)-N,2,2,6-tetramethylheptan-4-amine.

Molecular Properties

Compound Namesulfane;(4S)-N,2,2,6-tetramethylheptan-4-amine
PubChem CID161290387
Molecular FormulaC11H27NS
Molecular Weight205.41 g/mol
Exact Mass205.19
IUPAC Namesulfane;(4S)-N,2,2,6-tetramethylheptan-4-amine
SMILESCN[C@@H](CC(C)C)CC(C)(C)C.S
InChIInChI=1S/C11H25N.H2S/c1-9(2)7-10(12-6)8-11(3,4)5;/h9-10,12H,7-8H2,1-6H3;1H2/t10-;/m0./s1
InChIKeyVGGPQLKIPGCYKD-PPHPATTJSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze sulfane;(4S)-N,2,2,6-tetramethylheptan-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sulfane;(4S)-N,2,2,6-tetramethylheptan-4-amine?
The IUPAC name of sulfane;(4S)-N,2,2,6-tetramethylheptan-4-amine (CID 161290387) is sulfane;(4S)-N,2,2,6-tetramethylheptan-4-amine.
What is the SMILES notation for sulfane;(4S)-N,2,2,6-tetramethylheptan-4-amine?
The canonical SMILES for sulfane;(4S)-N,2,2,6-tetramethylheptan-4-amine is CN[C@@H](CC(C)C)CC(C)(C)C.S.
What is the InChIKey of sulfane;(4S)-N,2,2,6-tetramethylheptan-4-amine?
The InChIKey is VGGPQLKIPGCYKD-PPHPATTJSA-N. The full InChI is InChI=1S/C11H25N.H2S/c1-9(2)7-10(12-6)8-11(3,4)5;/h9-10,12H,7-8H2,1-6H3;1H2/t10-;/m0./s1.
What are the key properties of sulfane;(4S)-N,2,2,6-tetramethylheptan-4-amine?
sulfane;(4S)-N,2,2,6-tetramethylheptan-4-amine has a molecular weight of 205.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;(4S)-N,2,2,6-tetramethylheptan-4-amine is sourced from PubChem (CID 161290387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).