(NZ)-N-[4-ethyl-1-(2-methyl-1,3-dithiolan-2-yl)hexan-3-ylidene]hydroxylamine

C12H23NOS2 — CID 11777453

IUPAC(NZ)-N-[4-ethyl-1-(2-methyl-1,3-dithiolan-2-yl)hexan-3-ylidene]hydroxylamine
SMILESCCC(CC)/C(CCC1(C)SCCS1)=N\O
InChIInChI=1S/C12H23NOS2/c1-4-10(5-2)11(13-14)6-7-12(3)15-8-9-16-12/h10,14H,4-9H2,1-3H3/b13-11-
InChIKeyKQMHBEFJSYDTQZ-QBFSEMIESA-N
MW261.46 g/mol
LogP4.23
Rot. Bonds6

About (NZ)-N-[4-ethyl-1-(2-methyl-1,3-dithiolan-2-yl)hexan-3-ylidene]hydroxylamine

(NZ)-N-[4-ethyl-1-(2-methyl-1,3-dithiolan-2-yl)hexan-3-ylidene]hydroxylamine (PubChem CID 11777453) has the molecular formula C12H23NOS2 and a molecular weight of 261.46 g/mol. Its IUPAC name is (NZ)-N-[4-ethyl-1-(2-methyl-1,3-dithiolan-2-yl)hexan-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[4-ethyl-1-(2-methyl-1,3-dithiolan-2-yl)hexan-3-ylidene]hydroxylamine
PubChem CID11777453
Molecular FormulaC12H23NOS2
Molecular Weight261.46 g/mol
Exact Mass261.12
IUPAC Name(NZ)-N-[4-ethyl-1-(2-methyl-1,3-dithiolan-2-yl)hexan-3-ylidene]hydroxylamine
SMILESCCC(CC)/C(CCC1(C)SCCS1)=N\O
InChIInChI=1S/C12H23NOS2/c1-4-10(5-2)11(13-14)6-7-12(3)15-8-9-16-12/h10,14H,4-9H2,1-3H3/b13-11-
InChIKeyKQMHBEFJSYDTQZ-QBFSEMIESA-N
XLogP4.23
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

2-ethyl-3,6-dimethyltetrahydro-4H-thiopyran-4-one oxime
CID 6391852
(Z)-2-ethyl-3,6-dimethyldihydro-2H-thiopyran-4(3H)-one oxime
CID 5718756
N-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine
CID 139877771
(NE)-N-[1-(2-cyclopropyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine
CID 168914424
(NE)-N-[1-(4,5-dimethylthiolan-2-yl)ethylidene]hydroxylamine
CID 172981190
N-(2-methyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine
CID 174336176
N-(2-ethyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine
CID 174345765
N-(2-ethyl-3,6-dimethylthian-4-ylidene)hydroxylamine
CID 2833960
(NZ)-N-[(2R,3S,6S)-2-ethyl-3,6-dimethylthian-4-ylidene]hydroxylamine
CID 5394070
(NZ)-N-[(2S,3R,6R)-2-ethyl-3,6-dimethylthian-4-ylidene]hydroxylamine
CID 5512913
(NE)-N-[(2R,3S,6S)-2-ethyl-3,6-dimethylthian-4-ylidene]hydroxylamine
CID 6338829
(NE)-N-[(2S,3R,6R)-2-ethyl-3,6-dimethylthian-4-ylidene]hydroxylamine
CID 6344330

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[4-ethyl-1-(2-methyl-1,3-dithiolan-2-yl)hexan-3-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[4-ethyl-1-(2-methyl-1,3-dithiolan-2-yl)hexan-3-ylidene]hydroxylamine (CID 11777453) is (NZ)-N-[4-ethyl-1-(2-methyl-1,3-dithiolan-2-yl)hexan-3-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[4-ethyl-1-(2-methyl-1,3-dithiolan-2-yl)hexan-3-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[4-ethyl-1-(2-methyl-1,3-dithiolan-2-yl)hexan-3-ylidene]hydroxylamine is CCC(CC)/C(CCC1(C)SCCS1)=N\O.
What is the InChIKey of (NZ)-N-[4-ethyl-1-(2-methyl-1,3-dithiolan-2-yl)hexan-3-ylidene]hydroxylamine?
The InChIKey is KQMHBEFJSYDTQZ-QBFSEMIESA-N. The full InChI is InChI=1S/C12H23NOS2/c1-4-10(5-2)11(13-14)6-7-12(3)15-8-9-16-12/h10,14H,4-9H2,1-3H3/b13-11-.
What are the key properties of (NZ)-N-[4-ethyl-1-(2-methyl-1,3-dithiolan-2-yl)hexan-3-ylidene]hydroxylamine?
(NZ)-N-[4-ethyl-1-(2-methyl-1,3-dithiolan-2-yl)hexan-3-ylidene]hydroxylamine has a molecular weight of 261.46 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[4-ethyl-1-(2-methyl-1,3-dithiolan-2-yl)hexan-3-ylidene]hydroxylamine is sourced from PubChem (CID 11777453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).