(NE)-N-(5-propan-2-ylthiolan-3-ylidene)hydroxylamine

C7H13NOS — CID 45096092

IUPAC(NE)-N-(5-propan-2-ylthiolan-3-ylidene)hydroxylamine
SMILESCC(C)C1C/C(=N\O)CS1
InChIInChI=1S/C7H13NOS/c1-5(2)7-3-6(8-9)4-10-7/h5,7,9H,3-4H2,1-2H3/b8-6+
InChIKeyPKTGKMVJQGNXKU-SOFGYWHQSA-N
MW159.25 g/mol
LogP1.98
Rot. Bonds1

About (NE)-N-(5-propan-2-ylthiolan-3-ylidene)hydroxylamine

(NE)-N-(5-propan-2-ylthiolan-3-ylidene)hydroxylamine (PubChem CID 45096092) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is (NE)-N-(5-propan-2-ylthiolan-3-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(5-propan-2-ylthiolan-3-ylidene)hydroxylamine
PubChem CID45096092
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name(NE)-N-(5-propan-2-ylthiolan-3-ylidene)hydroxylamine
SMILESCC(C)C1C/C(=N\O)CS1
InChIInChI=1S/C7H13NOS/c1-5(2)7-3-6(8-9)4-10-7/h5,7,9H,3-4H2,1-2H3/b8-6+
InChIKeyPKTGKMVJQGNXKU-SOFGYWHQSA-N
XLogP1.98
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.98
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

N-(3,5-dimethylthian-4-ylidene)hydroxylamine
CID 3787331
N-(2-methylthiolan-3-ylidene)hydroxylamine
CID 108425287
N-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine
CID 139877771
N-(2-propan-2-ylthiolan-3-ylidene)hydroxylamine
CID 141030994
N-(4,4-dimethylthiolan-3-ylidene)hydroxylamine
CID 154102160
N-(4-methyl-4-methylsulfanylthiolan-3-ylidene)hydroxylamine
CID 154138934
(NE)-N-[1-(2-cyclopropyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine
CID 168914424
(NZ)-N-(4,4-dimethylthiolan-3-ylidene)hydroxylamine
CID 172953084
(NE)-N-[1-(4,5-dimethylthiolan-2-yl)ethylidene]hydroxylamine
CID 172981190
N-(2-ethylthiolan-3-ylidene)hydroxylamine
CID 174335588
N-(2-methyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine
CID 174336176
N-(2-ethyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine
CID 174345765

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(5-propan-2-ylthiolan-3-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(5-propan-2-ylthiolan-3-ylidene)hydroxylamine (CID 45096092) is (NE)-N-(5-propan-2-ylthiolan-3-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(5-propan-2-ylthiolan-3-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(5-propan-2-ylthiolan-3-ylidene)hydroxylamine is CC(C)C1C/C(=N\O)CS1.
What is the InChIKey of (NE)-N-(5-propan-2-ylthiolan-3-ylidene)hydroxylamine?
The InChIKey is PKTGKMVJQGNXKU-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NOS/c1-5(2)7-3-6(8-9)4-10-7/h5,7,9H,3-4H2,1-2H3/b8-6+.
What are the key properties of (NE)-N-(5-propan-2-ylthiolan-3-ylidene)hydroxylamine?
(NE)-N-(5-propan-2-ylthiolan-3-ylidene)hydroxylamine has a molecular weight of 159.25 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(5-propan-2-ylthiolan-3-ylidene)hydroxylamine is sourced from PubChem (CID 45096092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).