N-(2-methylprop-2-enyl)-1-(thiolan-3-yl)ethane-1,2-diamine

C10H20N2S — CID 107132892

IUPACN-(2-methylprop-2-enyl)-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESC=C(C)CNC(CN)C1CCSC1
InChIInChI=1S/C10H20N2S/c1-8(2)6-12-10(5-11)9-3-4-13-7-9/h9-10,12H,1,3-7,11H2,2H3
InChIKeyWJDJYXVNSMYAGA-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.23
Rot. Bonds5

About N-(2-methylprop-2-enyl)-1-(thiolan-3-yl)ethane-1,2-diamine

N-(2-methylprop-2-enyl)-1-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 107132892) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-1-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-1-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID107132892
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameN-(2-methylprop-2-enyl)-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESC=C(C)CNC(CN)C1CCSC1
InChIInChI=1S/C10H20N2S/c1-8(2)6-12-10(5-11)9-3-4-13-7-9/h9-10,12H,1,3-7,11H2,2H3
InChIKeyWJDJYXVNSMYAGA-UHFFFAOYSA-N
XLogP1.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-1-(thiolan-3-yl)pent-4-en-1-amine
CID 105182600
N-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132785
N-(3,3-dimethylcyclopentyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132891
2-(thiolan-3-yl)butan-1-amine
CID 82596112
2-(ethylamino)-2-(thiolan-3-yl)acetamide
CID 107132951
[4-methyl-1-(thiolan-3-yl)pentyl]hydrazine
CID 105294315
N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine
CID 107011890
2-(ethylamino)-2-(thiolan-3-yl)acetic acid
CID 107132983
[2-propan-2-yloxy-1-(thiolan-3-yl)ethyl]hydrazine
CID 105323843
methyl 3-hydroxy-2-(thiolan-3-yl)propanoate
CID 117238513
N-methyl-1-(thiolan-3-yl)oct-7-en-1-amine
CID 107012091
N-methyl-N-(3-methylbutan-2-yl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132615

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-methylprop-2-enyl)-1-(thiolan-3-yl)ethane-1,2-diamine (CID 107132892) is N-(2-methylprop-2-enyl)-1-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methylprop-2-enyl)-1-(thiolan-3-yl)ethane-1,2-diamine is C=C(C)CNC(CN)C1CCSC1.
What is the InChIKey of N-(2-methylprop-2-enyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is WJDJYXVNSMYAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-8(2)6-12-10(5-11)9-3-4-13-7-9/h9-10,12H,1,3-7,11H2,2H3.
What are the key properties of N-(2-methylprop-2-enyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
N-(2-methylprop-2-enyl)-1-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 200.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-1-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107132892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).