cyclopropylmethyl-ethyl-imino-λ4-sulfane

C6H13NS — CID 129314722

IUPACcyclopropylmethyl-ethyl-imino-λ4-sulfane
SMILES[H]/N=S(\CC)CC1CC1
InChIInChI=1S/C6H13NS/c1-2-8(7)5-6-3-4-6/h6-7H,2-5H2,1H3
InChIKeyWUXDUEIIBJHCHD-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.80
Rot. Bonds3

About cyclopropylmethyl-ethyl-imino-λ4-sulfane

cyclopropylmethyl-ethyl-imino-λ4-sulfane (PubChem CID 129314722) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is cyclopropylmethyl-ethyl-imino-λ4-sulfane.

Molecular Properties

Compound Namecyclopropylmethyl-ethyl-imino-λ4-sulfane
PubChem CID129314722
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Namecyclopropylmethyl-ethyl-imino-λ4-sulfane
SMILES[H]/N=S(\CC)CC1CC1
InChIInChI=1S/C6H13NS/c1-2-8(7)5-6-3-4-6/h6-7H,2-5H2,1H3
InChIKeyWUXDUEIIBJHCHD-UHFFFAOYSA-N
XLogP1.80
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl-ethyl-imino-λ4-sulfane?
The IUPAC name of cyclopropylmethyl-ethyl-imino-λ4-sulfane (CID 129314722) is cyclopropylmethyl-ethyl-imino-λ4-sulfane.
What is the SMILES notation for cyclopropylmethyl-ethyl-imino-λ4-sulfane?
The canonical SMILES for cyclopropylmethyl-ethyl-imino-λ4-sulfane is [H]/N=S(\CC)CC1CC1.
What is the InChIKey of cyclopropylmethyl-ethyl-imino-λ4-sulfane?
The InChIKey is WUXDUEIIBJHCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-2-8(7)5-6-3-4-6/h6-7H,2-5H2,1H3.
What are the key properties of cyclopropylmethyl-ethyl-imino-λ4-sulfane?
cyclopropylmethyl-ethyl-imino-λ4-sulfane has a molecular weight of 131.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl-ethyl-imino-λ4-sulfane is sourced from PubChem (CID 129314722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).