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

C7H13NOS2 — CID 10035459

IUPAC(NE)-N-[1-(2-methyl-1,3-dithiolan-2-yl)propan-2-ylidene]hydroxylamine
SMILESC/C(CC1(C)SCCS1)=N\O
InChIInChI=1S/C7H13NOS2/c1-6(8-9)5-7(2)10-3-4-11-7/h9H,3-5H2,1-2H3/b8-6+
InChIKeyVIBYBMFLDMRLKZ-SOFGYWHQSA-N
MW191.32 g/mol
LogP2.42
Rot. Bonds2

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

(NE)-N-[1-(2-methyl-1,3-dithiolan-2-yl)propan-2-ylidene]hydroxylamine (PubChem CID 10035459) has the molecular formula C7H13NOS2 and a molecular weight of 191.32 g/mol. Its IUPAC name is (NE)-N-[1-(2-methyl-1,3-dithiolan-2-yl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2-methyl-1,3-dithiolan-2-yl)propan-2-ylidene]hydroxylamine
PubChem CID10035459
Molecular FormulaC7H13NOS2
Molecular Weight191.32 g/mol
Exact Mass191.04
IUPAC Name(NE)-N-[1-(2-methyl-1,3-dithiolan-2-yl)propan-2-ylidene]hydroxylamine
SMILESC/C(CC1(C)SCCS1)=N\O
InChIInChI=1S/C7H13NOS2/c1-6(8-9)5-7(2)10-3-4-11-7/h9H,3-5H2,1-2H3/b8-6+
InChIKeyVIBYBMFLDMRLKZ-SOFGYWHQSA-N
XLogP2.42
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
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

3,3-Bis(methylthio)butan-2-one oxime
CID 6366532
Tetrahydrothiophen-3-oneoxime
CID 5708827
(NE)-N-[1-(2-methyl-1,3-dithian-2-yl)propan-2-ylidene]hydroxylamine
CID 135041200
3,3-Bis(methylthio)-2-butanone oxime
CID 3024278
(NE)-N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine
CID 9554100
Tetrahydrothiophen-3-one oxime
CID 2777413
(NE)-N-(thiolan-3-ylidene)hydroxylamine
CID 5875647
(NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine
CID 22562175
N-(1-methylsulfanylpentan-2-ylidene)hydroxylamine
CID 73796144
4-Ethylsulfanyl-butan-2-one oxime
CID 73991919
N-[1-(2-methyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine
CID 85784016
N-(2-methylthiolan-3-ylidene)hydroxylamine
CID 108425287

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2-methyl-1,3-dithiolan-2-yl)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2-methyl-1,3-dithiolan-2-yl)propan-2-ylidene]hydroxylamine (CID 10035459) is (NE)-N-[1-(2-methyl-1,3-dithiolan-2-yl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2-methyl-1,3-dithiolan-2-yl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2-methyl-1,3-dithiolan-2-yl)propan-2-ylidene]hydroxylamine is C/C(CC1(C)SCCS1)=N\O.
What is the InChIKey of (NE)-N-[1-(2-methyl-1,3-dithiolan-2-yl)propan-2-ylidene]hydroxylamine?
The InChIKey is VIBYBMFLDMRLKZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NOS2/c1-6(8-9)5-7(2)10-3-4-11-7/h9H,3-5H2,1-2H3/b8-6+.
What are the key properties of (NE)-N-[1-(2-methyl-1,3-dithiolan-2-yl)propan-2-ylidene]hydroxylamine?
(NE)-N-[1-(2-methyl-1,3-dithiolan-2-yl)propan-2-ylidene]hydroxylamine has a molecular weight of 191.32 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-methyl-1,3-dithiolan-2-yl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 10035459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).