N-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine

C10H19NOS — CID 107908089

IUPACN-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine
SMILESCS(=O)CCCNC1C=CCCC1
InChIInChI=1S/C10H19NOS/c1-13(12)9-5-8-11-10-6-3-2-4-7-10/h3,6,10-11H,2,4-5,7-9H2,1H3
InChIKeyIAKIWAAYVJWCCS-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.45
Rot. Bonds5

About N-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine

N-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine (PubChem CID 107908089) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine
PubChem CID107908089
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine
SMILESCS(=O)CCCNC1C=CCCC1
InChIInChI=1S/C10H19NOS/c1-13(12)9-5-8-11-10-6-3-2-4-7-10/h3,6,10-11H,2,4-5,7-9H2,1H3
InChIKeyIAKIWAAYVJWCCS-UHFFFAOYSA-N
XLogP1.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(cyclohex-2-en-1-ylamino)pentanamide
CID 106237404
N-(4-methylsulfanylbutyl)cyclohex-2-en-1-amine
CID 107234447
5-(cyclohex-2-en-1-ylamino)pentan-2-ol
CID 106131433
N-(5-methylhexyl)cyclohex-2-en-1-amine
CID 107907594
N-cyclohex-2-en-1-yl-N',N'-dimethylethane-1,2-diamine
CID 103867344
3-(cyclohex-2-en-1-ylamino)propanoic acid
CID 114620369
N-propylcyclooct-2-en-1-amine
CID 123644376
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine
CID 107906360
N-(3-methylsulfinylpropyl)-3-propan-2-ylcyclohexan-1-amine
CID 107448796
N-(3-methylsulfinylpropyl)oxan-4-amine
CID 115654136
N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine
CID 106547294
2-[2-(cyclohex-2-en-1-ylamino)ethoxy]acetamide
CID 106238210

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine (CID 107908089) is N-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine is CS(=O)CCCNC1C=CCCC1.
What is the InChIKey of N-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine?
The InChIKey is IAKIWAAYVJWCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-13(12)9-5-8-11-10-6-3-2-4-7-10/h3,6,10-11H,2,4-5,7-9H2,1H3.
What are the key properties of N-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine?
N-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine has a molecular weight of 201.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 107908089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).