3-(aminomethyl)-N-(2-methylprop-2-enyl)thian-3-amine

C10H20N2S — CID 114616209

IUPAC3-(aminomethyl)-N-(2-methylprop-2-enyl)thian-3-amine
SMILESC=C(C)CNC1(CN)CCCSC1
InChIInChI=1S/C10H20N2S/c1-9(2)6-12-10(7-11)4-3-5-13-8-10/h12H,1,3-8,11H2,2H3
InChIKeyURHFJZJGUZQKGS-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.38
Rot. Bonds4

About 3-(aminomethyl)-N-(2-methylprop-2-enyl)thian-3-amine

3-(aminomethyl)-N-(2-methylprop-2-enyl)thian-3-amine (PubChem CID 114616209) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-methylprop-2-enyl)thian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-methylprop-2-enyl)thian-3-amine
PubChem CID114616209
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name3-(aminomethyl)-N-(2-methylprop-2-enyl)thian-3-amine
SMILESC=C(C)CNC1(CN)CCCSC1
InChIInChI=1S/C10H20N2S/c1-9(2)6-12-10(7-11)4-3-5-13-8-10/h12H,1,3-8,11H2,2H3
InChIKeyURHFJZJGUZQKGS-UHFFFAOYSA-N
XLogP1.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.38
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

1-(aminomethyl)-3-ethyl-N-(2-methylprop-2-enyl)cyclopentan-1-amine
CID 114616252
[3-(methylamino)thian-3-yl]methanol
CID 62872215
4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine
CID 114616093
3-(aminomethyl)-N-(2-methoxypropyl)thiolan-3-amine
CID 102697112
[3-(propan-2-ylamino)thian-3-yl]methanol
CID 62872201
1-(aminomethyl)-2-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine
CID 106872782
1-(aminomethyl)-N-(2-methylprop-2-enyl)-2-propan-2-ylcyclohexan-1-amine
CID 114616224
3-(aminomethyl)-N-(2-bromo-5-methylphenyl)thian-3-amine
CID 82762289
methyl 2-[3-(aminomethyl)thian-3-yl]acetate
CID 66097444
3-(aminomethyl)-N-(2-chloro-5-fluorophenyl)thian-3-amine
CID 107527924
3-(aminomethyl)-N-[3-chloro-5-(trifluoromethyl)phenyl]thian-3-amine
CID 116699251
(2-methyl-1,4-oxathian-2-yl)methanamine
CID 155821418

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-methylprop-2-enyl)thian-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(2-methylprop-2-enyl)thian-3-amine (CID 114616209) is 3-(aminomethyl)-N-(2-methylprop-2-enyl)thian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(2-methylprop-2-enyl)thian-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(2-methylprop-2-enyl)thian-3-amine is C=C(C)CNC1(CN)CCCSC1.
What is the InChIKey of 3-(aminomethyl)-N-(2-methylprop-2-enyl)thian-3-amine?
The InChIKey is URHFJZJGUZQKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-9(2)6-12-10(7-11)4-3-5-13-8-10/h12H,1,3-8,11H2,2H3.
What are the key properties of 3-(aminomethyl)-N-(2-methylprop-2-enyl)thian-3-amine?
3-(aminomethyl)-N-(2-methylprop-2-enyl)thian-3-amine has a molecular weight of 200.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-methylprop-2-enyl)thian-3-amine is sourced from PubChem (CID 114616209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).