(NZ)-N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine

C6H13NOS2 — CID 6366532

IUPAC(NZ)-N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine
SMILESCSC(C)(SC)/C(C)=N\O
InChIInChI=1S/C6H13NOS2/c1-5(7-8)6(2,9-3)10-4/h8H,1-4H3/b7-5-
InChIKeyOCKMYMYYFVZHNS-ALCCZGGFSA-N
MW179.31 g/mol
LogP2.28
Rot. Bonds3

About (NZ)-N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine

(NZ)-N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine (PubChem CID 6366532) has the molecular formula C6H13NOS2 and a molecular weight of 179.31 g/mol. Its IUPAC name is (NZ)-N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine
PubChem CID6366532
Molecular FormulaC6H13NOS2
Molecular Weight179.31 g/mol
Exact Mass179.04
IUPAC Name(NZ)-N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine
SMILESCSC(C)(SC)/C(C)=N\O
InChIInChI=1S/C6H13NOS2/c1-5(7-8)6(2,9-3)10-4/h8H,1-4H3/b7-5-
InChIKeyOCKMYMYYFVZHNS-ALCCZGGFSA-N
XLogP2.28
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine (CID 6366532) is (NZ)-N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine is CSC(C)(SC)/C(C)=N\O.
What is the InChIKey of (NZ)-N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine?
The InChIKey is OCKMYMYYFVZHNS-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H13NOS2/c1-5(7-8)6(2,9-3)10-4/h8H,1-4H3/b7-5-.
What are the key properties of (NZ)-N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine?
(NZ)-N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine has a molecular weight of 179.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 6366532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).