(NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine

C10H21NOS — CID 135035421

IUPAC(NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine
SMILESCCCCCCCSC/C(C)=N\O
InChIInChI=1S/C10H21NOS/c1-3-4-5-6-7-8-13-9-10(2)11-12/h12H,3-9H2,1-2H3/b11-10-
InChIKeyZVAREJQYXBDEMY-KHPPLWFESA-N
MW203.35 g/mol
LogP3.54
Rot. Bonds8

About (NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine

(NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine (PubChem CID 135035421) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is (NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine
PubChem CID135035421
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name(NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine
SMILESCCCCCCCSC/C(C)=N\O
InChIInChI=1S/C10H21NOS/c1-3-4-5-6-7-8-13-9-10(2)11-12/h12H,3-9H2,1-2H3/b11-10-
InChIKeyZVAREJQYXBDEMY-KHPPLWFESA-N
XLogP3.54
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

(Z)-4-hexylsulfanyl-N-methoxybutan-2-imine
CID 5466314
(NE)-N-(2-methylsulfanylcyclooctylidene)hydroxylamine
CID 12447280
(NZ)-N-(1-propylsulfanylpropan-2-ylidene)hydroxylamine
CID 135035494
4-(Hexylthio)-2-butanone O-methyloxime
CID 9571584
2-(Ethylthio)cyclooctanone oxime
CID 9602636
N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine
CID 85973967
(NE)-N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine
CID 88791284
(NE)-N-(2-methylsulfanylcyclododecylidene)hydroxylamine
CID 141118454
ethane;(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine
CID 163384575
N-[3-(ethylsulfanylmethylsulfanyl)undecan-2-ylidene]hydroxylamine
CID 173356519
4-hexylsulfanyl-N-methoxybutan-2-imine
CID 389275
N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine
CID 3258367

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine (CID 135035421) is (NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine is CCCCCCCSC/C(C)=N\O.
What is the InChIKey of (NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine?
The InChIKey is ZVAREJQYXBDEMY-KHPPLWFESA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-4-5-6-7-8-13-9-10(2)11-12/h12H,3-9H2,1-2H3/b11-10-.
What are the key properties of (NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine?
(NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine has a molecular weight of 203.35 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine is sourced from PubChem (CID 135035421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).