(NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine

C6H13NOS — CID 22562175

IUPAC(NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine
SMILESCCSCC/C(C)=N/O
InChIInChI=1S/C6H13NOS/c1-3-9-5-4-6(2)7-8/h8H,3-5H2,1-2H3/b7-6+
InChIKeyDWBXTIVYWBGITD-VOTSOKGWSA-N
MW147.24 g/mol
LogP1.98
Rot. Bonds4

About (NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine

(NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine (PubChem CID 22562175) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is (NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine
PubChem CID22562175
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name(NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine
SMILESCCSCC/C(C)=N/O
InChIInChI=1S/C6H13NOS/c1-3-9-5-4-6(2)7-8/h8H,3-5H2,1-2H3/b7-6+
InChIKeyDWBXTIVYWBGITD-VOTSOKGWSA-N
XLogP1.98
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 6518735
CID 6518735
CID 237774
CID 237774
CID 2794915
CID 2794915
CID 301031
CID 301031
CID 5361040
CID 5361040
CID 5745504
CID 5745504
CID 6366532
CID 6366532
CID 139063779
CID 139063779
CID 5712107
CID 5712107
CID 38232
CID 38232
CID 6365421
CID 6365421
CID 6432885
CID 6432885

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine (CID 22562175) is (NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine is CCSCC/C(C)=N/O.
What is the InChIKey of (NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine?
The InChIKey is DWBXTIVYWBGITD-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H13NOS/c1-3-9-5-4-6(2)7-8/h8H,3-5H2,1-2H3/b7-6+.
What are the key properties of (NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine?
(NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine has a molecular weight of 147.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 22562175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).