(NE)-N-[1-(4,5-dimethylthiolan-2-yl)ethylidene]hydroxylamine

C8H15NOS — CID 172981190

IUPAC(NE)-N-[1-(4,5-dimethylthiolan-2-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)C1CC(C)C(C)S1
InChIInChI=1S/C8H15NOS/c1-5-4-8(6(2)9-10)11-7(5)3/h5,7-8,10H,4H2,1-3H3/b9-6+
InChIKeyHZZRAXWPCDPFJP-RMKNXTFCSA-N
MW173.28 g/mol
LogP2.37
Rot. Bonds1

About (NE)-N-[1-(4,5-dimethylthiolan-2-yl)ethylidene]hydroxylamine

(NE)-N-[1-(4,5-dimethylthiolan-2-yl)ethylidene]hydroxylamine (PubChem CID 172981190) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is (NE)-N-[1-(4,5-dimethylthiolan-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(4,5-dimethylthiolan-2-yl)ethylidene]hydroxylamine
PubChem CID172981190
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name(NE)-N-[1-(4,5-dimethylthiolan-2-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)C1CC(C)C(C)S1
InChIInChI=1S/C8H15NOS/c1-5-4-8(6(2)9-10)11-7(5)3/h5,7-8,10H,4H2,1-3H3/b9-6+
InChIKeyHZZRAXWPCDPFJP-RMKNXTFCSA-N
XLogP2.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
N-[5-propan-2-yl-2-(trifluoromethyl)thiolan-3-ylidene]hydroxylamine
CID 174335111
(Z)-2-ethyl-3,6-dimethyldihydro-2H-thiopyran-4(3H)-one oxime
CID 5718756
4-Oximino-3-propyl-tetrahydrothiopyran
CID 86755267
N-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine
CID 139877771
N-(2-propan-2-ylthiolan-3-ylidene)hydroxylamine
CID 141030994
N-(3-propylthian-2-ylidene)hydroxylamine
CID 145843050
(NE)-N-[1-(2-cyclopropyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine
CID 168914424
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

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(4,5-dimethylthiolan-2-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(4,5-dimethylthiolan-2-yl)ethylidene]hydroxylamine (CID 172981190) is (NE)-N-[1-(4,5-dimethylthiolan-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(4,5-dimethylthiolan-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(4,5-dimethylthiolan-2-yl)ethylidene]hydroxylamine is C/C(=N\O)C1CC(C)C(C)S1.
What is the InChIKey of (NE)-N-[1-(4,5-dimethylthiolan-2-yl)ethylidene]hydroxylamine?
The InChIKey is HZZRAXWPCDPFJP-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15NOS/c1-5-4-8(6(2)9-10)11-7(5)3/h5,7-8,10H,4H2,1-3H3/b9-6+.
What are the key properties of (NE)-N-[1-(4,5-dimethylthiolan-2-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(4,5-dimethylthiolan-2-yl)ethylidene]hydroxylamine has a molecular weight of 173.28 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(4,5-dimethylthiolan-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 172981190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).