trimethyl(pyrrolidin-1-yl)-λ4-sulfane

C7H17NS — CID 123572979

IUPACtrimethyl(pyrrolidin-1-yl)-λ4-sulfane
SMILESCS(C)(C)N1CCCC1
InChIInChI=1S/C7H17NS/c1-9(2,3)8-6-4-5-7-8/h4-7H2,1-3H3
InChIKeySGZVWEBKEYECTE-UHFFFAOYSA-N
MW147.29 g/mol
LogP1.69
Rot. Bonds1

About trimethyl(pyrrolidin-1-yl)-λ4-sulfane

trimethyl(pyrrolidin-1-yl)-λ4-sulfane (PubChem CID 123572979) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is trimethyl(pyrrolidin-1-yl)-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl(pyrrolidin-1-yl)-λ4-sulfane
PubChem CID123572979
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC Nametrimethyl(pyrrolidin-1-yl)-λ4-sulfane
SMILESCS(C)(C)N1CCCC1
InChIInChI=1S/C7H17NS/c1-9(2,3)8-6-4-5-7-8/h4-7H2,1-3H3
InChIKeySGZVWEBKEYECTE-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trimethyl(pyrrolidin-1-yl)-λ4-sulfane?
The IUPAC name of trimethyl(pyrrolidin-1-yl)-λ4-sulfane (CID 123572979) is trimethyl(pyrrolidin-1-yl)-λ4-sulfane.
What is the SMILES notation for trimethyl(pyrrolidin-1-yl)-λ4-sulfane?
The canonical SMILES for trimethyl(pyrrolidin-1-yl)-λ4-sulfane is CS(C)(C)N1CCCC1.
What is the InChIKey of trimethyl(pyrrolidin-1-yl)-λ4-sulfane?
The InChIKey is SGZVWEBKEYECTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-9(2,3)8-6-4-5-7-8/h4-7H2,1-3H3.
What are the key properties of trimethyl(pyrrolidin-1-yl)-λ4-sulfane?
trimethyl(pyrrolidin-1-yl)-λ4-sulfane has a molecular weight of 147.29 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(pyrrolidin-1-yl)-λ4-sulfane is sourced from PubChem (CID 123572979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).