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

C8H15NOS2 — CID 10375681

IUPAC(NE)-N-[4-(2-methyl-1,3-dithiolan-2-yl)butan-2-ylidene]hydroxylamine
SMILESC/C(CCC1(C)SCCS1)=N\O
InChIInChI=1S/C8H15NOS2/c1-7(9-10)3-4-8(2)11-5-6-12-8/h10H,3-6H2,1-2H3/b9-7+
InChIKeyOYGCUPVRAWYRCO-VQHVLOKHSA-N
MW205.35 g/mol
LogP2.81
Rot. Bonds3

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

(NE)-N-[4-(2-methyl-1,3-dithiolan-2-yl)butan-2-ylidene]hydroxylamine (PubChem CID 10375681) has the molecular formula C8H15NOS2 and a molecular weight of 205.35 g/mol. Its IUPAC name is (NE)-N-[4-(2-methyl-1,3-dithiolan-2-yl)butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[4-(2-methyl-1,3-dithiolan-2-yl)butan-2-ylidene]hydroxylamine
PubChem CID10375681
Molecular FormulaC8H15NOS2
Molecular Weight205.35 g/mol
Exact Mass205.06
IUPAC Name(NE)-N-[4-(2-methyl-1,3-dithiolan-2-yl)butan-2-ylidene]hydroxylamine
SMILESC/C(CCC1(C)SCCS1)=N\O
InChIInChI=1S/C8H15NOS2/c1-7(9-10)3-4-8(2)11-5-6-12-8/h10H,3-6H2,1-2H3/b9-7+
InChIKeyOYGCUPVRAWYRCO-VQHVLOKHSA-N
XLogP2.81
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 52.81
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

(NE)-N-[1-(2-methyl-1,3-dithian-2-yl)propan-2-ylidene]hydroxylamine
CID 135041200
N-[1-(2-methyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine
CID 85784016
N-(2-methylthiolan-3-ylidene)hydroxylamine
CID 108425287
ethane;(NZ)-N-(thiolan-3-ylidene)hydroxylamine
CID 142872841
N-[1-(2-ethyl-1,3-dithiolan-2-yl)propylidene]hydroxylamine
CID 154097623
N-[1-(2,4-dimethyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine
CID 154099304
N-(4-methyl-4-methylsulfanylthiolan-3-ylidene)hydroxylamine
CID 154138934
(NE)-N-[1-(2-cyclopropyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine
CID 168914424
N-[3-(ethylsulfanylmethylsulfanyl)undecan-2-ylidene]hydroxylamine
CID 173356519
N-(2-ethylthiolan-3-ylidene)hydroxylamine
CID 174335588
N-[3-(2-hexylsulfanylethylsulfanyl)-3-methylbutan-2-ylidene]hydroxylamine
CID 3615202
(NZ)-N-[3-(2-hexylsulfanylethylsulfanyl)-3-methylbutan-2-ylidene]hydroxylamine
CID 5875847

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[4-(2-methyl-1,3-dithiolan-2-yl)butan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[4-(2-methyl-1,3-dithiolan-2-yl)butan-2-ylidene]hydroxylamine (CID 10375681) is (NE)-N-[4-(2-methyl-1,3-dithiolan-2-yl)butan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[4-(2-methyl-1,3-dithiolan-2-yl)butan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[4-(2-methyl-1,3-dithiolan-2-yl)butan-2-ylidene]hydroxylamine is C/C(CCC1(C)SCCS1)=N\O.
What is the InChIKey of (NE)-N-[4-(2-methyl-1,3-dithiolan-2-yl)butan-2-ylidene]hydroxylamine?
The InChIKey is OYGCUPVRAWYRCO-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15NOS2/c1-7(9-10)3-4-8(2)11-5-6-12-8/h10H,3-6H2,1-2H3/b9-7+.
What are the key properties of (NE)-N-[4-(2-methyl-1,3-dithiolan-2-yl)butan-2-ylidene]hydroxylamine?
(NE)-N-[4-(2-methyl-1,3-dithiolan-2-yl)butan-2-ylidene]hydroxylamine has a molecular weight of 205.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[4-(2-methyl-1,3-dithiolan-2-yl)butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 10375681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).