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

C10H19NOS2 — CID 10059899

IUPAC(NZ)-N-[4-methyl-1-(2-methyl-1,3-dithiolan-2-yl)pentan-3-ylidene]hydroxylamine
SMILESCC(C)/C(CCC1(C)SCCS1)=N\O
InChIInChI=1S/C10H19NOS2/c1-8(2)9(11-12)4-5-10(3)13-6-7-14-10/h8,12H,4-7H2,1-3H3/b11-9-
InChIKeyIBOCBHVMCYYXKN-LUAWRHEFSA-N
MW233.40 g/mol
LogP3.45
Rot. Bonds4

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

(NZ)-N-[4-methyl-1-(2-methyl-1,3-dithiolan-2-yl)pentan-3-ylidene]hydroxylamine (PubChem CID 10059899) has the molecular formula C10H19NOS2 and a molecular weight of 233.40 g/mol. Its IUPAC name is (NZ)-N-[4-methyl-1-(2-methyl-1,3-dithiolan-2-yl)pentan-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[4-methyl-1-(2-methyl-1,3-dithiolan-2-yl)pentan-3-ylidene]hydroxylamine
PubChem CID10059899
Molecular FormulaC10H19NOS2
Molecular Weight233.40 g/mol
Exact Mass233.09
IUPAC Name(NZ)-N-[4-methyl-1-(2-methyl-1,3-dithiolan-2-yl)pentan-3-ylidene]hydroxylamine
SMILESCC(C)/C(CCC1(C)SCCS1)=N\O
InChIInChI=1S/C10H19NOS2/c1-8(2)9(11-12)4-5-10(3)13-6-7-14-10/h8,12H,4-7H2,1-3H3/b11-9-
InChIKeyIBOCBHVMCYYXKN-LUAWRHEFSA-N
XLogP3.45
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.45
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

N-[5-propan-2-yl-2-(trifluoromethyl)thiolan-3-ylidene]hydroxylamine
CID 174335111
N-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine
CID 139877771
N-(2-propan-2-ylthiolan-3-ylidene)hydroxylamine
CID 141030994
(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
(NE)-N-[4-(2-ethyl-1,3-dithiolan-2-yl)butan-2-ylidene]hydroxylamine
CID 10013713
(NE)-N-[1-(2-methyl-1,3-dithiolan-2-yl)heptan-3-ylidene]hydroxylamine
CID 10014875
(NE)-N-[1-(2-ethyl-1,3-dithiolan-2-yl)butan-2-ylidene]hydroxylamine
CID 10443424
(NZ)-N-[4-ethyl-1-(2-methyl-1,3-dithiolan-2-yl)hexan-3-ylidene]hydroxylamine
CID 11777453
(NE)-N-(5-propan-2-ylthiolan-3-ylidene)hydroxylamine
CID 45096092

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[4-methyl-1-(2-methyl-1,3-dithiolan-2-yl)pentan-3-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[4-methyl-1-(2-methyl-1,3-dithiolan-2-yl)pentan-3-ylidene]hydroxylamine (CID 10059899) is (NZ)-N-[4-methyl-1-(2-methyl-1,3-dithiolan-2-yl)pentan-3-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[4-methyl-1-(2-methyl-1,3-dithiolan-2-yl)pentan-3-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[4-methyl-1-(2-methyl-1,3-dithiolan-2-yl)pentan-3-ylidene]hydroxylamine is CC(C)/C(CCC1(C)SCCS1)=N\O.
What is the InChIKey of (NZ)-N-[4-methyl-1-(2-methyl-1,3-dithiolan-2-yl)pentan-3-ylidene]hydroxylamine?
The InChIKey is IBOCBHVMCYYXKN-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H19NOS2/c1-8(2)9(11-12)4-5-10(3)13-6-7-14-10/h8,12H,4-7H2,1-3H3/b11-9-.
What are the key properties of (NZ)-N-[4-methyl-1-(2-methyl-1,3-dithiolan-2-yl)pentan-3-ylidene]hydroxylamine?
(NZ)-N-[4-methyl-1-(2-methyl-1,3-dithiolan-2-yl)pentan-3-ylidene]hydroxylamine has a molecular weight of 233.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[4-methyl-1-(2-methyl-1,3-dithiolan-2-yl)pentan-3-ylidene]hydroxylamine is sourced from PubChem (CID 10059899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).