ditert-butyl-(cyclohexylamino)sulfanium

C14H30NS+ — CID 18982538

IUPACditert-butyl-(cyclohexylamino)sulfanium
SMILESCC(C)(C)[S+](NC1CCCCC1)C(C)(C)C
InChIInChI=1S/C14H30NS/c1-13(2,3)16(14(4,5)6)15-12-10-8-7-9-11-12/h12,15H,7-11H2,1-6H3/q+1
InChIKeyDQUPFEFCYHETEW-UHFFFAOYSA-N
MW244.47 g/mol
LogP4.04
Rot. Bonds2

About ditert-butyl-(cyclohexylamino)sulfanium

ditert-butyl-(cyclohexylamino)sulfanium (PubChem CID 18982538) has the molecular formula C14H30NS+ and a molecular weight of 244.47 g/mol. Its IUPAC name is ditert-butyl-(cyclohexylamino)sulfanium.

Molecular Properties

Compound Nameditert-butyl-(cyclohexylamino)sulfanium
PubChem CID18982538
Molecular FormulaC14H30NS+
Molecular Weight244.47 g/mol
Exact Mass244.21
IUPAC Nameditert-butyl-(cyclohexylamino)sulfanium
SMILESCC(C)(C)[S+](NC1CCCCC1)C(C)(C)C
InChIInChI=1S/C14H30NS/c1-13(2,3)16(14(4,5)6)15-12-10-8-7-9-11-12/h12,15H,7-11H2,1-6H3/q+1
InChIKeyDQUPFEFCYHETEW-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-(cyclohexylamino)sulfanium?
The IUPAC name of ditert-butyl-(cyclohexylamino)sulfanium (CID 18982538) is ditert-butyl-(cyclohexylamino)sulfanium.
What is the SMILES notation for ditert-butyl-(cyclohexylamino)sulfanium?
The canonical SMILES for ditert-butyl-(cyclohexylamino)sulfanium is CC(C)(C)[S+](NC1CCCCC1)C(C)(C)C.
What is the InChIKey of ditert-butyl-(cyclohexylamino)sulfanium?
The InChIKey is DQUPFEFCYHETEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30NS/c1-13(2,3)16(14(4,5)6)15-12-10-8-7-9-11-12/h12,15H,7-11H2,1-6H3/q+1.
What are the key properties of ditert-butyl-(cyclohexylamino)sulfanium?
ditert-butyl-(cyclohexylamino)sulfanium has a molecular weight of 244.47 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-(cyclohexylamino)sulfanium is sourced from PubChem (CID 18982538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).