N-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine

C10H19NOS — CID 139877771

IUPACN-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine
SMILESCC(C)CC(C)C1SCCC1=NO
InChIInChI=1S/C10H19NOS/c1-7(2)6-8(3)10-9(11-12)4-5-13-10/h7-8,10,12H,4-6H2,1-3H3
InChIKeyPVYPNDHAJXHPDP-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.00
Rot. Bonds3

About N-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine

N-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine (PubChem CID 139877771) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine
PubChem CID139877771
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine
SMILESCC(C)CC(C)C1SCCC1=NO
InChIInChI=1S/C10H19NOS/c1-7(2)6-8(3)10-9(11-12)4-5-13-10/h7-8,10,12H,4-6H2,1-3H3
InChIKeyPVYPNDHAJXHPDP-UHFFFAOYSA-N
XLogP3.00
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.00
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-propan-2-ylthiolan-3-ylidene)hydroxylamine
CID 141030994
(NE)-N-[1-(4,5-dimethylthiolan-2-yl)ethylidene]hydroxylamine
CID 172981190
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
N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine
CID 3258367
(NZ)-N-[(2R,3S,6S)-2-ethyl-3,6-dimethylthian-4-ylidene]hydroxylamine
CID 5394070
(NZ)-N-[(2S,3R,6R)-2-ethyl-3,6-dimethylthian-4-ylidene]hydroxylamine
CID 5512913

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine?
The IUPAC name of N-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine (CID 139877771) is N-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine.
What is the SMILES notation for N-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine?
The canonical SMILES for N-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine is CC(C)CC(C)C1SCCC1=NO.
What is the InChIKey of N-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine?
The InChIKey is PVYPNDHAJXHPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-7(2)6-8(3)10-9(11-12)4-5-13-10/h7-8,10,12H,4-6H2,1-3H3.
What are the key properties of N-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine?
N-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine has a molecular weight of 201.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine is sourced from PubChem (CID 139877771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).