(NE)-N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine

C6H13NOS — CID 88791284

IUPAC(NE)-N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine
SMILESC/C(CSC(C)C)=N\O
InChIInChI=1S/C6H13NOS/c1-5(2)9-4-6(3)7-8/h5,8H,4H2,1-3H3/b7-6+
InChIKeyUBNLSHRHRIOYDG-VOTSOKGWSA-N
MW147.24 g/mol
LogP1.98
Rot. Bonds3

About (NE)-N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine

(NE)-N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine (PubChem CID 88791284) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is (NE)-N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine
PubChem CID88791284
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name(NE)-N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine
SMILESC/C(CSC(C)C)=N\O
InChIInChI=1S/C6H13NOS/c1-5(2)9-4-6(3)7-8/h5,8H,4H2,1-3H3/b7-6+
InChIKeyUBNLSHRHRIOYDG-VOTSOKGWSA-N
XLogP1.98
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
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

Tetrahydrothiopyran-4-one oxime
CID 237774
2-Butanone, 3-(methylthio)-, oxime
CID 2794915
1,3-Dithian-5-one, 2-methyl-, oxime
CID 301031
3-(Methylsulfanyl)butan-2-one oxime
CID 5712107
3-(Methylthio)butan-2-one oxime
CID 5745504
(NZ)-N-(1-methylsulfanylbutan-2-ylidene)hydroxylamine
CID 6365421
1-(Methylthio)butan-2-one oxime
CID 6432885
Thioxan-3-one, oxime
CID 5708639
Methyl(2-methylthioethyl)ketone oxime
CID 85711716
3-Methyl-5-thiahexan-2-one oxime
CID 86102188
4,7-Dithiadecane-2,9-dione dioxime
CID 129817290
(NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine
CID 135035421

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine (CID 88791284) is (NE)-N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine is C/C(CSC(C)C)=N\O.
What is the InChIKey of (NE)-N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine?
The InChIKey is UBNLSHRHRIOYDG-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5(2)9-4-6(3)7-8/h5,8H,4H2,1-3H3/b7-6+.
What are the key properties of (NE)-N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine?
(NE)-N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine has a molecular weight of 147.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine is sourced from PubChem (CID 88791284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).