(NE)-N-[1-(2-cyclopropyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine

C8H13NOS2 — CID 168914424

IUPAC(NE)-N-[1-(2-cyclopropyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)C1(C2CC2)SCCS1
InChIInChI=1S/C8H13NOS2/c1-6(9-10)8(7-2-3-7)11-4-5-12-8/h7,10H,2-5H2,1H3/b9-6+
InChIKeyOPBKROWQWQKFNS-RMKNXTFCSA-N
MW203.33 g/mol
LogP2.42
Rot. Bonds2

About (NE)-N-[1-(2-cyclopropyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine

(NE)-N-[1-(2-cyclopropyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine (PubChem CID 168914424) has the molecular formula C8H13NOS2 and a molecular weight of 203.33 g/mol. Its IUPAC name is (NE)-N-[1-(2-cyclopropyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2-cyclopropyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine
PubChem CID168914424
Molecular FormulaC8H13NOS2
Molecular Weight203.33 g/mol
Exact Mass203.04
IUPAC Name(NE)-N-[1-(2-cyclopropyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)C1(C2CC2)SCCS1
InChIInChI=1S/C8H13NOS2/c1-6(9-10)8(7-2-3-7)11-4-5-12-8/h7,10H,2-5H2,1H3/b9-6+
InChIKeyOPBKROWQWQKFNS-RMKNXTFCSA-N
XLogP2.42
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.42
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-(2-propan-2-ylthiolan-3-ylidene)hydroxylamine
CID 141030994
N-[1-(2-ethyl-1,3-dithiolan-2-yl)propylidene]hydroxylamine
CID 154097623
(NE)-N-[1-(4,5-dimethylthiolan-2-yl)ethylidene]hydroxylamine
CID 172981190
N-(2-methyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine
CID 174336176
(NZ)-N-[4-methyl-1-(2-methyl-1,3-dithiolan-2-yl)pentan-3-ylidene]hydroxylamine
CID 10059899
(NE)-N-[4-(2-methyl-1,3-dithiolan-2-yl)butan-2-ylidene]hydroxylamine
CID 10375681
(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
N-(5-propan-2-ylthiolan-3-ylidene)hydroxylamine
CID 130763430

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2-cyclopropyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2-cyclopropyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine (CID 168914424) is (NE)-N-[1-(2-cyclopropyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2-cyclopropyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2-cyclopropyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine is C/C(=N\O)C1(C2CC2)SCCS1.
What is the InChIKey of (NE)-N-[1-(2-cyclopropyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine?
The InChIKey is OPBKROWQWQKFNS-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H13NOS2/c1-6(9-10)8(7-2-3-7)11-4-5-12-8/h7,10H,2-5H2,1H3/b9-6+.
What are the key properties of (NE)-N-[1-(2-cyclopropyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(2-cyclopropyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine has a molecular weight of 203.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2-cyclopropyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 168914424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).